data_2joi_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 2joi _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 ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.417 0.151 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.58 131.96 53.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.351 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -117.24 120.92 39.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 0.0 110.365 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.566 ' CD2' HG22 ' A' ' 100' ' ' ILE . 56.8 m-85 -114.67 150.51 44.09 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.185 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 174.37 12.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.474 ' CG2' HG23 ' A' ' 76' ' ' ILE . 3.4 t -126.01 134.3 66.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.192 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.54 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -81.11 145.79 30.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.446 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -69.85 104.48 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.265 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 121.62 -45.59 1.2 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.58 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 3.5 m-85 -42.55 159.34 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.34 25.41 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.781 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.1 p -140.61 32.06 1.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.368 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.57 146.99 45.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.234 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.571 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.0 m-85 -51.15 -52.18 46.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -50.41 73.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 m -50.04 -52.8 31.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.95 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.445 HG22 ' CD1' ' A' ' 43' ' ' ILE . 98.3 mt -64.81 -40.89 90.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -51.66 -40.47 60.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.4 mpt_? -75.02 -39.66 61.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.408 1.067 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -33.43 75.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.46 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 20.6 mt -69.04 -53.69 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.4 t -69.54 -25.39 64.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 109.947 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 2.0 mm-40 -73.74 -23.91 59.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.584 HD13 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.88 -22.8 21.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.33 24.91 4.58 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CE1' HD13 ' A' ' 46' ' ' LEU . 10.7 m-30 -112.89 177.65 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.386 0.698 . . . . 0.0 111.004 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.28 161.76 21.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 p -140.21 134.04 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -116.09 144.94 43.47 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.552 1.158 . . . . 0.0 109.365 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.8 m -105.54 98.82 8.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.039 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -102.51 90.5 3.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 110.194 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.52 -109.93 2.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.578 1.173 . . . . 0.0 111.01 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -115.31 -3.68 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.791 . . . . 0.0 109.312 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.424 ' N ' HD21 ' A' ' 56' ' ' LEU . 2.3 mt -96.73 158.0 15.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.443 1.09 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.571 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -107.62 139.06 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 27.5 mm -118.18 131.88 69.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.64 144.35 28.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.34 101.48 8.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.564 HG22 ' CD2' ' A' ' 48' ' ' PHE . 7.1 pt -122.54 154.64 63.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 139.46 24.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.98 -25.65 20.73 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.469 HG21 ' CG2' ' A' ' 67' ' ' ILE . 2.4 mp -107.69 145.32 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 0.795 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 64' ' ' ILE . 2.3 m -77.28 -62.47 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.892 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.05 142.13 19.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.429 1.081 . . . . 0.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.469 ' CG2' HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.4 153.35 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 8.0 mt-10 -109.91 137.4 47.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.485 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -121.62 135.82 60.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 1.1 mppt? -134.67 90.12 24.14 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.249 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.514 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -74.97 140.99 26.18 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.26 148.18 37.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.6 mttt -52.37 -36.83 54.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -71.19 -68.83 0.41 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -148.92 -166.75 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.483 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 9.6 pt -135.02 164.25 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.554 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -148.87 153.62 38.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.27 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.86 147.81 31.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -130.99 116.32 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.466 ' CG2' ' CZ ' ' A' ' 96' ' ' TYR . 61.3 p -96.72 152.42 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.77 -113.64 3.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.24 137.35 43.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.568 ' CE2' HG23 ' A' ' 92' ' ' VAL . 4.4 m-30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -51.18 -27.85 9.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -31.04 58.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -73.79 -52.26 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.568 HG23 ' CE2' ' A' ' 83' ' ' TYR . 26.2 m -58.18 -24.6 24.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.333 1.02 . . . . 0.0 109.221 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.97 -37.28 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.511 ' C ' ' CD ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -64.47 -30.2 71.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.4 1.062 . . . . 0.0 110.346 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 16.3 m -87.45 -30.43 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.426 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.466 ' CZ ' ' CG2' ' A' ' 80' ' ' THR . 57.0 t80 -74.78 -38.55 62.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -72.76 -47.04 50.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 0.0 109.385 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -53.66 -37.58 63.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.514 ' CD2' HD12 ' A' ' 100' ' ' ILE . 13.2 t80 -60.84 -50.83 71.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.585 1.178 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.566 HG22 ' CD2' ' A' ' 26' ' ' TYR . 19.3 mm -72.35 -35.44 52.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -40.45 63.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 110.308 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -84.82 -23.03 29.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.442 ' CD2' HG23 ' A' ' 39' ' ' ILE . 1.5 tp -81.69 -12.86 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.453 HG23 ' CG2' ' A' ' 100' ' ' ILE . 81.1 p -117.41 -41.66 2.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 110.418 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.58 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 104.54 -38.62 3.18 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.437 1.086 . . . . 0.0 111.045 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 111.026 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.456 ' HG3' ' CB ' ' A' ' 79' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.574 0.226 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -97.56 149.81 21.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 110.279 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -120.5 123.51 43.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.496 ' CD2' HG22 ' A' ' 78' ' ' VAL . 24.6 m-85 -119.14 143.9 35.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.27 29.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.45 129.64 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -73.53 146.66 44.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 109.245 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 2.2 pttt -70.29 117.55 11.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.59 -41.38 2.23 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.429 1.081 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 3.4 m-85 -46.14 165.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.795 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 130.34 13.17 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.765 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.6 p -133.92 28.81 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.404 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.25 142.72 48.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 7.3 m-85 -49.34 -55.26 13.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -47.77 84.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.401 1.063 . . . . 0.0 109.23 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -52.77 31.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' CG2' HD12 ' A' ' 43' ' ' ILE . 9.2 mt -63.61 -41.71 93.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -50.31 -38.74 43.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLU . 10.4 mpt_? -73.54 -41.45 62.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -38.73 92.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.529 ' CG2' ' CB ' ' A' ' 48' ' ' PHE . 20.4 mt -66.13 -55.5 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.5 t -66.06 -24.24 66.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -69.14 -39.49 78.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.611 HD13 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -77.36 -25.19 50.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.67 34.08 1.78 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.611 ' CE1' HD13 ' A' ' 46' ' ' LEU . 6.7 m-30 -115.12 160.7 19.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.85 157.38 17.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.9 p -140.22 134.74 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -115.58 146.71 41.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.7 p -99.97 110.83 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.466 ' HB2' ' CG1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -110.82 93.62 4.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.26 -103.34 0.92 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -118.86 -3.3 10.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.365 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 56' ' ' LEU . 2.2 mt -95.68 159.9 14.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.386 1.054 . . . . 0.0 109.22 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.497 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -106.3 137.64 35.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.214 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.476 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 16.2 mm -116.63 129.54 72.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.378 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.33 137.65 43.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 t -109.18 105.75 15.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.472 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 6.9 pt -122.61 153.89 63.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.23 16.33 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.588 1.836 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.1 -25.27 28.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.472 ' HB ' ' CG1' ' A' ' 61' ' ' ILE . 2.7 mp -107.35 149.69 10.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.495 0.762 . . . . 0.0 109.237 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 64' ' ' ILE . 38.3 t -82.74 -62.28 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 110.041 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -154.99 140.55 17.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.44 HD12 ' CG2' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -141.22 149.64 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.476 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.1 mt-10 -114.16 135.89 53.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 69' ' ' ILE . 2.5 mp -121.12 144.46 30.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.448 1.092 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.457 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.59 90.32 14.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.367 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.57 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.1 Cg_endo -75.03 125.81 9.54 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.2 152.18 43.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -28.75 59.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -62.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.446 ' HE3' ' CD1' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -152.14 -166.0 2.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.499 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -140.96 164.51 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.522 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -147.6 153.78 39.83 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.496 HG22 ' CD2' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -132.96 146.51 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.456 ' CB ' ' HG3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -131.99 125.84 32.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 80.9 p -107.15 142.73 36.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.35 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.53 -83.33 0.8 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -146.18 109.7 4.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.519 ' CE2' HG23 ' A' ' 92' ' ' VAL . 2.3 m-85 . . . . . 0 C--N 1.323 -0.583 0 O-C-N 124.536 1.147 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.3 m-20 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -50.74 -27.07 6.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.64 -33.19 60.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 109.373 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -74.06 -51.6 15.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.186 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.519 HG23 ' CE2' ' A' ' 83' ' ' TYR . 29.5 m -60.81 -33.5 55.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 3.3 t -69.29 -38.11 76.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.632 1.207 . . . . 0.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -63.34 -30.81 71.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.3 m -86.06 -30.98 22.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -75.33 -39.34 59.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.16 -46.35 64.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.33 -34.19 70.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -68.09 -42.94 79.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.397 1.06 . . . . 0.0 111.055 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 103' ' ' LEU . 21.0 mm -75.26 -50.39 24.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.47 ' O ' ' CA ' ' A' ' 105' ' ' GLY . 5.9 tt0 -46.97 -32.19 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 -29.16 21.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 100' ' ' ILE . 1.0 OUTLIER -75.0 -35.9 62.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.432 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 2.8 p -100.99 -40.25 7.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.382 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.528 ' HA3' ' CZ ' ' A' ' 32' ' ' PHE . . . 103.6 -34.0 6.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.097 . . . . 0.0 111.014 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 110.996 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.5 ttm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.489 0.185 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.11 127.43 53.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -90.17 131.82 35.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.625 1.203 . . . . 0.0 110.344 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.513 ' CD2' HG21 ' A' ' 100' ' ' ILE . 29.7 m-85 -114.24 147.57 38.2 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.06 27.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.47 ' CG2' HG21 ' A' ' 76' ' ' ILE . 10.5 t -123.26 135.4 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -75.82 146.82 39.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 5.3 mptt -71.22 105.8 3.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.7 -44.87 1.26 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.364 1.04 . . . . 0.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 104' ' ' THR . 3.6 m-85 -43.18 159.93 0.21 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 142.78 28.39 Favored 'Trans proline' 0 C--N 1.362 1.26 0 O-C-N 124.466 1.772 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.463 ' CG2' HG11 ' A' ' 28' ' ' VAL . 2.7 p -136.57 29.3 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -117.33 148.24 41.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.607 1.192 . . . . 0.0 109.224 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.562 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 5.9 m-85 -52.89 -51.0 62.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -52.91 62.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.6 m -49.77 -52.65 30.28 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.436 1.085 . . . . 0.0 110.123 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 71' ' ' PRO . 40.3 mt -64.56 -40.28 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 14.9 mtpt -51.98 -38.06 55.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 45' ' ' GLU . 2.6 mpt_? -76.58 -38.4 54.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.228 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -30.92 71.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.477 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 38.2 mt -70.72 -54.93 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -67.96 -31.11 70.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.956 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -61.44 -25.19 67.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.605 HD13 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.34 -23.97 22.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.268 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.59 32.05 2.21 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.412 1.07 . . . . 0.0 111.026 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.605 ' CE1' HD13 ' A' ' 46' ' ' LEU . 11.6 m-30 -118.74 176.6 5.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.74 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.58 162.08 18.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.405 ' CG2' ' HG2' ' A' ' 40' ' ' LYS . 1.7 p -138.69 132.1 39.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -112.95 144.31 42.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -107.81 99.26 8.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -102.61 92.1 4.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.28 -110.62 3.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -115.94 -4.3 12.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 109.352 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.422 ' N ' HD22 ' A' ' 56' ' ' LEU . 2.3 mt -95.14 159.71 14.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.562 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -107.81 138.46 34.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 26.7 mm -119.09 137.52 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.84 144.74 31.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.48 100.37 8.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.436 HG23 ' CD2' ' A' ' 48' ' ' PHE . 13.7 pt -122.84 152.66 62.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 137.01 21.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.556 1.819 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.54 -25.37 28.52 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.095 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 65' ' ' SER . 1.2 mp -107.43 161.78 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.368 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.47 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 26.3 t -94.23 -62.4 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.2 136.77 14.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.32 151.48 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.8 mt-10 -109.04 137.16 47.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.484 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -119.76 135.06 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 1.5 mppt? -131.74 89.28 39.84 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.467 ' HB3' ' CD1' ' A' ' 39' ' ' ILE . 18.4 Cg_endo -75.05 134.17 17.4 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.22 150.91 43.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -57.52 -42.64 83.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -66.38 0.56 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.45 178.85 9.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.334 1.022 . . . . 0.0 109.4 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.501 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 4.8 pt -126.37 160.09 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.53 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -145.64 154.03 41.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 1.144 . . . . 0.0 109.214 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.508 HG22 ' CD2' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -133.22 148.18 31.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.455 1.097 . . . . 0.0 109.195 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -136.89 127.37 26.74 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.5 p -96.33 161.49 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.25 -70.92 0.68 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.451 1.094 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -137.2 136.04 37.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.805 . . . . 0.0 109.26 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.464 ' CE2' HG23 ' A' ' 92' ' ' VAL . 1.4 m-85 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.445 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 8.3 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.469 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -51.6 -29.4 17.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.571 1.169 . . . . 0.0 109.358 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -77.2 -30.05 54.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -72.98 -52.73 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 89' ' ' LYS . 6.2 m -59.7 -37.59 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.24 -37.36 78.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.47 1.107 . . . . 0.0 109.265 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 90' ' ' LEU . 2.3 mmt180 -65.52 -31.17 72.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -86.23 -32.7 21.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -72.02 -35.39 69.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.4 1.063 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -37.97 46.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -55.38 -37.69 67.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.7 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 6.7 t80 -63.53 -53.05 58.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.513 HG21 ' CD2' ' A' ' 26' ' ' TYR . 26.1 mm -60.23 -32.18 50.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.511 ' O ' ' CA ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -55.54 -43.33 75.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.208 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -22.43 22.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.222 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.7 ' CD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -71.72 -41.63 68.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.596 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 66.7 p -105.7 -35.99 7.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.397 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 101' ' ' GLU . . . 109.87 -34.8 5.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.59 1.181 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 110.973 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 78' ' ' VAL . 21.0 ttm . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.536 0.208 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.0 137.99 47.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.424 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 1.9 mt-10 -100.73 132.71 45.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.506 ' CD2' HG21 ' A' ' 100' ' ' ILE . 57.8 m-85 -125.35 146.81 55.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.527 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.5 Cg_endo -74.9 -170.1 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.554 1.818 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.467 ' CG2' HG22 ' A' ' 34' ' ' THR . 14.7 p -145.0 118.9 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.217 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -64.42 145.72 55.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -69.74 105.98 2.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.34 -43.53 1.46 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.588 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 3.1 m-85 -44.33 161.26 0.22 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.451 0.736 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.449 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.5 Cg_endo -74.99 127.01 10.34 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.506 1.793 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.467 HG22 ' CG2' ' A' ' 28' ' ' VAL . 6.4 p -132.89 31.88 3.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.53 152.15 42.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.22 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' LYS . 7.2 m-85 -52.24 -55.58 20.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.43 ' CG ' ' N ' ' A' ' 38' ' ' SER . 6.6 p-10 -61.12 -50.44 73.21 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 5.0 m -49.82 -52.84 29.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.418 HG21 ' CD2' ' A' ' 103' ' ' LEU . 68.4 mt -69.76 -33.71 57.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' TYR . 3.1 tttm -56.81 -38.79 73.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -74.6 -32.86 62.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -64.77 -47.35 78.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.435 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 31.6 mt -53.36 -53.28 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -67.79 -43.77 78.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.93 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -24.52 58.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.581 HD11 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -88.64 -25.66 22.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.25 21.94 5.71 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.581 ' CE1' HD11 ' A' ' 46' ' ' LEU . 12.4 m-30 -112.79 175.2 5.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.463 ' CB ' ' HB3' ' A' ' 60' ' ' SER . 0.3 OUTLIER -114.91 156.54 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.0 130.07 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -112.82 144.48 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -99.13 97.94 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.123 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.06 95.05 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.263 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.21 -103.15 0.81 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.448 1.093 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -119.52 -1.92 10.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 56' ' ' LEU . 2.3 mt -96.27 164.32 12.71 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -109.67 140.67 27.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.453 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 32.4 mm -123.18 131.61 72.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.29 134.22 47.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 49' ' ' ASP . 8.1 t -108.74 104.39 13.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.946 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.532 HG22 ' CD2' ' A' ' 48' ' ' PHE . 9.0 pt -124.38 153.05 68.99 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.519 1.137 . . . . 0.0 109.37 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 133.03 16.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.45 1.763 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.06 -24.6 31.34 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 111.066 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.456 ' HB ' ' CG1' ' A' ' 61' ' ' ILE . 2.3 mp -106.78 152.54 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.593 0.819 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 -62.62 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -155.29 138.43 15.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.433 ' CG2' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.5 148.8 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.214 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.453 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 8.7 mt-10 -110.19 144.7 38.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.427 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -126.15 123.44 63.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.51 ' CB ' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -116.47 89.32 26.78 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.67 9.5 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.464 1.77 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 0.6 OUTLIER -130.99 145.32 52.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -55.09 -43.29 73.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.085 . . . . 0.0 109.224 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HB3' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -64.27 -62.83 1.36 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' CD ' ' HB3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -153.48 -173.01 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.427 ' CD1' HG22 ' A' ' 104' ' ' THR . 3.6 pt -130.99 158.18 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.543 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -141.05 155.05 46.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.44 ' O ' ' CG ' ' A' ' 23' ' ' MET . 4.2 m -127.07 138.34 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.362 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -130.94 117.81 19.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.1 p -111.48 175.11 5.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -118.99 -87.1 1.09 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -140.36 135.17 31.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.61 ' OH ' ' CD1' ' A' ' 96' ' ' TYR . 3.4 m-85 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.454 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -54.16 -29.89 47.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.414 ' N ' ' HG2' ' A' ' 89' ' ' LYS . 3.1 tp -74.7 -32.47 62.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.92 -51.61 13.35 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.454 ' CG2' ' HA ' ' A' ' 89' ' ' LYS . 21.7 m -61.19 -38.3 79.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 1.6 t -51.57 -34.33 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -67.42 -30.24 69.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.445 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 2.1 m -86.83 -36.24 18.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.61 ' CD1' ' OH ' ' A' ' 83' ' ' TYR . 29.0 t80 -70.79 -32.22 69.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -77.1 -37.66 53.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -66.0 -37.23 85.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 99' ' ' PHE . 6.1 t80 -62.03 -41.18 97.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.506 HG21 ' CD2' ' A' ' 26' ' ' TYR . 9.6 mm -77.04 -46.74 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -48.53 -32.89 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.193 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.43 -26.95 27.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 100' ' ' ILE . 4.2 mp -83.22 -16.45 46.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 100' ' ' ILE . 82.3 p -110.2 -44.18 3.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.588 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 80.4 5.1 89.98 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.544 1.153 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.527 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 7.9 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.741 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 78' ' ' VAL . 30.5 ttm . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.528 0.204 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.13 141.62 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.59 132.42 51.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.47 ' HB3' ' CG2' ' A' ' 104' ' ' THR . 70.6 m-85 -124.28 141.85 38.5 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 178.46 7.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.3 p -130.21 139.38 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.595 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -86.99 145.79 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 16.6 tttt -66.84 108.74 2.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.46 -48.18 0.97 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.487 1.117 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 3.7 m-85 -40.39 160.46 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 127.2 10.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.801 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.1 p -128.29 22.33 6.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.54 143.8 41.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.563 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 10.8 m-85 -52.85 -53.41 49.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -46.83 88.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.6 m -52.52 -52.91 52.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.342 1.026 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.46 HG22 ' CD2' ' A' ' 103' ' ' LEU . 50.7 mt -63.83 -37.92 80.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HG2' ' CG1' ' A' ' 50' ' ' VAL . 1.5 mtmm -51.8 -39.63 59.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.484 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.1 mpt_? -76.76 -35.44 57.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -64.14 -36.62 84.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.51 ' CG2' ' CB ' ' A' ' 48' ' ' PHE . 28.0 mt -66.88 -54.97 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -67.24 -27.21 67.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.1 mm-40 -67.71 -27.3 66.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.572 1.17 . . . . 0.0 110.4 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.596 HD12 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -90.16 -22.53 21.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.55 27.23 3.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.596 ' CE1' HD12 ' A' ' 46' ' ' LEU . 8.6 m-30 -112.12 170.64 8.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.81 157.87 21.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 1.188 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.446 ' CG1' ' HG2' ' A' ' 40' ' ' LYS . 2.3 p -144.27 135.52 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 109.31 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -115.44 143.54 45.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.7 p -97.31 106.43 18.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.06 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.89 116.42 30.6 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 48.46 -108.77 0.42 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.587 1.18 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.35 -0.21 12.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 56' ' ' LEU . 2.4 mt -97.69 158.98 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.563 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -107.11 138.21 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 39.0 mm -116.9 129.08 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 109.372 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.11 142.23 37.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.16 113.85 22.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.473 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 6.6 pt -130.39 158.5 74.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 130.41 13.26 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.806 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.29 -26.12 25.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.502 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 22.0 mt -107.91 143.87 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.731 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 64' ' ' ILE . 24.8 t -77.06 -61.46 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.07 144.2 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.457 HG22 ' CG2' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -137.67 153.29 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.463 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.9 mt-10 -119.2 137.3 53.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.6 mp -136.78 141.36 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -132.97 99.65 14.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.547 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -75.06 128.54 11.51 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.482 1.78 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.7 154.22 47.37 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.56 1.162 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -58.54 -39.76 81.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -68.27 -67.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 110.326 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.96 -175.31 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.385 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.455 HD12 ' CG2' ' A' ' 104' ' ' THR . 1.1 pt -127.02 152.31 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.548 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -132.46 154.81 49.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.578 1.173 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.467 ' O ' ' CG ' ' A' ' 23' ' ' MET . 10.3 m -125.36 141.66 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -132.8 112.62 12.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.3 p -104.78 142.15 35.22 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.151 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -79.71 -85.85 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.57 1.169 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.14 112.62 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.502 ' CZ ' HD12 ' A' ' 64' ' ' ILE . 2.6 m-30 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ALA . 12.1 m-20 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.478 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 5.6 mttt -49.56 -28.46 5.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.467 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.3 OUTLIER -76.22 -35.24 59.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -71.68 -52.1 19.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.494 HG23 ' CE2' ' A' ' 83' ' ' TYR . 33.0 m -57.59 -44.51 85.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.379 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.69 -36.81 77.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.408 1.068 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -62.89 -36.06 82.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -85.94 -39.69 16.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.44 ' CE2' HG13 ' A' ' 100' ' ' ILE . 60.0 t80 -62.13 -31.54 72.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 0.8 OUTLIER -70.23 -38.79 75.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.22 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -62.08 -39.72 93.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.333 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.503 ' CE1' HD22 ' A' ' 103' ' ' LEU . 21.5 t80 -67.91 -52.04 40.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 104' ' ' THR . 20.3 mm -65.23 -51.14 68.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 97' ' ' ASN . 45.9 tt0 -48.03 -32.72 6.99 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -83.03 -29.26 29.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.503 HD22 ' CE1' ' A' ' 99' ' ' PHE . 2.3 mp -81.74 -17.29 48.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 26' ' ' TYR . 21.2 p -107.23 -42.29 4.89 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.583 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 90.06 -28.98 6.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.523 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 10.0 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.6 ttp . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.572 0.225 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -96.83 154.19 17.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 2.1 mt-10 -119.53 134.56 55.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.571 ' CD2' HG21 ' A' ' 100' ' ' ILE . 25.0 m-85 -124.95 143.61 44.49 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.535 ' HG2' ' CD2' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.02 172.12 16.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.77 . . . . 0.0 111.06 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.61 117.88 54.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.346 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -65.17 145.06 56.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -63.97 104.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.73 -45.06 1.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 3.5 m-85 -44.67 160.25 0.24 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.76 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 128.11 11.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 t -134.93 30.2 3.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.466 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -123.85 150.23 44.82 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.466 1.104 . . . . 0.0 109.382 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.538 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 13.8 m-85 -52.47 -55.35 22.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -64.26 -51.54 63.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.459 ' HB2' ' CB ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -50.08 -49.26 52.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 35' ' ' ASP . 9.2 mt -64.53 -42.23 94.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HD3' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -51.22 -49.06 61.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.3 mpt_? -55.64 -43.56 76.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -62.85 -45.88 90.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.399 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.501 HG22 ' CG1' ' A' ' 50' ' ' VAL . 9.0 mt -60.21 -54.17 38.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.142 . . . . 0.0 109.22 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.8 t -67.12 -24.15 65.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -71.88 -41.74 67.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.619 ' CD1' ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -77.3 -16.84 58.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.39 34.46 5.82 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.619 ' CE1' ' CD1' ' A' ' 46' ' ' LEU . 2.4 m-30 -104.47 142.88 33.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 0.808 . . . . 0.0 111.064 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 60' ' ' SER . 0.3 OUTLIER -77.67 147.15 35.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.391 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.501 ' CG1' HG22 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -148.97 140.24 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.247 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.17 146.3 49.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -110.32 104.22 12.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.93 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -123.87 121.49 35.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.83 -119.52 11.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.594 1.184 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -120.53 -3.22 9.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.576 0.809 . . . . 0.0 109.215 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 56' ' ' LEU . 2.7 mt -95.52 158.32 15.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.527 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -108.36 141.06 24.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 0.0 109.354 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.456 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 18.4 mm -119.46 127.1 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.624 1.203 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -111.07 135.23 51.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.087 . . . . 0.0 109.364 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.474 ' HB3' ' CB ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -112.1 120.21 41.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.556 HG23 ' CD2' ' A' ' 48' ' ' PHE . 6.5 pt -128.02 159.96 64.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 128.98 11.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.0 -24.99 29.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.494 ' CD1' ' OH ' ' A' ' 83' ' ' TYR . 30.2 mt -107.09 147.66 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.414 ' N ' HG23 ' A' ' 64' ' ' ILE . 3.0 m -78.75 -62.46 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.23 143.11 19.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.76 146.79 25.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 5.3 mt-10 -110.45 137.16 48.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.426 HD12 ' N ' ' A' ' 69' ' ' ILE . 2.3 mp -122.47 144.83 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -138.65 89.38 13.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.234 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.538 ' HG2' ' CD1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -75.09 128.2 11.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.66 153.76 48.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -54.28 -40.13 67.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -69.45 -68.96 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.13 -177.58 6.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.602 1.189 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.5 pt -127.25 153.79 36.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.402 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.11 154.26 50.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.518 HG22 ' CD2' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -132.9 147.33 31.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.355 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -126.66 123.98 38.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.4 p -100.01 148.91 24.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.411 1.07 . . . . 0.0 110.433 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.65 -108.37 1.95 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.562 1.164 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -128.38 117.46 21.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 0.0 109.392 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.494 ' OH ' ' CD1' ' A' ' 64' ' ' ILE . 3.2 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.451 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 31.9 m-20 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 4.0 pttt -56.52 -28.86 61.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 mp -75.67 -35.84 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -61.95 -51.65 67.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.03 -35.42 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 2.7 t -51.62 -32.12 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.378 1.049 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -29.13 66.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.235 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -86.09 -40.06 16.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -65.12 -35.13 80.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 2.4 m-80 -74.46 -34.54 63.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.355 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -63.87 -32.31 73.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.551 ' CD2' HD11 ' A' ' 100' ' ' ILE . 31.2 t80 -75.22 -52.11 11.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.571 HG21 ' CD2' ' A' ' 26' ' ' TYR . 22.1 mm -67.15 -45.88 85.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 97' ' ' ASN . 3.0 tm-20 -50.13 -32.45 15.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -23.99 22.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.398 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.94 -22.54 36.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 100' ' ' ILE . 65.3 p -114.12 -46.45 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.367 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 100.09 -32.04 7.76 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.609 1.193 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.535 ' CD2' ' HG2' ' A' ' 27' ' ' PRO . 51.5 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.971 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.9 ttm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.449 0.166 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -108.2 143.91 36.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.448 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 1.7 mt-10 -97.51 134.42 40.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.369 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.559 ' CD2' HG22 ' A' ' 78' ' ' VAL . 22.1 m-85 -113.21 146.67 35.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 110.947 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 165.89 30.4 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.479 1.778 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.488 ' CG2' HG21 ' A' ' 76' ' ' ILE . 2.5 t -119.27 139.65 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.563 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -84.1 144.94 28.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -72.03 110.58 6.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.58 -35.74 3.75 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.54 1.15 . . . . 0.0 111.045 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 4.5 m-85 -55.71 159.01 5.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.24 28.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.5 p -136.01 27.79 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.98 143.13 45.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.55 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 9.7 m-85 -51.18 -55.36 18.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.67 -49.1 73.84 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.05 -50.75 58.02 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.508 1.13 . . . . 0.0 110.069 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.463 HG22 ' CD2' ' A' ' 103' ' ' LEU . 11.6 mt -65.96 -39.89 85.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 14.3 mtpt -52.89 -40.92 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.7 mpt_? -75.0 -32.75 61.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.439 ' HG2' ' CD1' ' A' ' 103' ' ' LEU . 0.2 OUTLIER -66.29 -39.31 89.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.473 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 31.9 mt -64.83 -52.46 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.8 t -67.91 -32.25 72.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.048 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.4 mm-40 -61.82 -24.4 66.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.601 HD11 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -91.83 -24.47 19.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.351 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.84 31.18 2.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.452 1.095 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.601 ' CE1' HD11 ' A' ' 46' ' ' LEU . 12.4 m-30 -119.1 174.93 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.975 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.46 161.52 17.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.178 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.409 ' CG2' ' HG2' ' A' ' 40' ' ' LYS . 1.4 p -135.37 127.26 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -112.09 144.33 41.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 m -111.07 116.54 31.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.86 93.86 4.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.563 1.165 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.3 -107.65 2.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -121.52 -0.04 9.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.244 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 56' ' ' LEU . 2.4 mt -97.47 158.82 15.28 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.55 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.2 tt -106.38 138.76 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.364 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 11.1 mm -117.75 142.62 31.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.57 1.168 . . . . 0.0 109.259 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.71 142.93 46.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.72 108.57 18.49 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.563 HG23 ' CD2' ' A' ' 48' ' ' PHE . 8.9 pt -132.29 152.27 79.8 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 136.01 19.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.584 1.834 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.53 -25.66 27.01 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.563 1.164 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.553 HG12 ' CE1' ' A' ' 83' ' ' TYR . 18.9 mt -107.62 141.86 21.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.443 ' N ' HG21 ' A' ' 64' ' ' ILE . 16.1 t -76.75 -62.66 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -155.1 139.97 17.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.449 HG22 ' CG2' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -136.32 151.44 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.465 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 4.1 mt-10 -116.23 135.74 53.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.469 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 2.5 mp -121.71 144.72 29.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -138.29 93.48 11.44 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.444 ' HG2' ' CD1' ' A' ' 36' ' ' TYR . 18.4 Cg_endo -74.93 126.68 10.17 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.83 150.76 52.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -55.59 -39.96 71.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -68.31 -68.91 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.248 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.85 -173.27 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.374 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.494 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 4.8 pt -130.8 163.33 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.547 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -148.93 153.36 37.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.559 HG22 ' CD2' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -133.01 147.2 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -126.49 118.26 24.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.1 p -102.57 139.87 37.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.95 -99.62 0.75 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -129.07 146.34 51.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 109.357 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.553 ' CE1' HG12 ' A' ' 64' ' ' ILE . 3.8 m-30 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.435 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 48.1 m-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -50.76 -28.8 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.06 -36.43 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.184 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -74.86 -51.63 13.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.522 HG23 ' CE2' ' A' ' 83' ' ' TYR . 2.5 m -56.47 -27.91 25.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.7 t -72.03 -36.41 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.244 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.462 ' C ' ' CD ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -64.41 -27.8 69.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 2.5 m -86.8 -34.55 19.52 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.462 ' CD1' ' CD1' ' A' ' 64' ' ' ILE . 44.1 t80 -73.79 -35.04 64.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -41.72 70.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.0 -32.66 74.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 99' ' ' PHE . 2.9 t80 -67.05 -45.95 75.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 104' ' ' THR . 10.1 mm -78.04 -36.04 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.466 ' O ' ' CA ' ' A' ' 105' ' ' GLY . 22.5 tt0 -56.0 -34.05 65.44 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.418 1.074 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -90.48 -15.15 31.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.382 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.463 ' CD2' HG22 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -88.82 -27.31 21.17 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.457 HG21 ' CD1' ' A' ' 76' ' ' ILE . 22.0 p -115.55 -32.21 5.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.428 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 101' ' ' GLU . . . 97.51 -37.3 3.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.583 1.177 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.486 0.756 . . . . 0.0 111.031 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -119.59 125.31 48.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -98.37 123.9 42.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -115.4 146.25 36.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.48 14.43 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.619 1.852 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.459 ' CG2' HG21 ' A' ' 76' ' ' ILE . 4.0 t -125.7 135.41 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.552 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -81.84 147.07 29.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 10.9 mtpt -70.55 106.35 3.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.05 -47.19 1.05 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 104' ' ' THR . 3.8 m-85 -40.77 159.97 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.803 . . . . 0.0 111.069 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 137.03 21.16 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.453 1.765 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 p -137.25 32.38 2.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.396 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.03 148.98 44.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.633 1.208 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.559 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 7.3 m-85 -55.6 -54.23 46.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -51.68 68.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.98 -52.86 30.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.055 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.443 HG23 ' CD1' ' A' ' 43' ' ' ILE . 50.8 mt -64.14 -38.58 82.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -56.07 -40.82 74.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.472 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.9 mpt_? -74.88 -38.81 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -36.9 85.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.462 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 22.4 mt -66.26 -50.86 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 t -71.3 -24.74 62.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.8 mm-40 -77.65 -23.39 49.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.348 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.585 HD13 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.13 -23.53 22.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.59 23.46 5.06 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.585 ' CE1' HD13 ' A' ' 46' ' ' LEU . 10.5 m-30 -112.11 171.95 7.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 0.779 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 60' ' ' SER . 0.2 OUTLIER -114.55 161.77 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 p -141.83 130.48 22.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -114.05 144.59 42.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.612 1.195 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.2 p -101.99 99.99 10.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.79 90.83 3.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.75 -110.8 3.14 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -114.67 -4.45 12.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 0.72 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.414 HD23 ' N ' ' A' ' 56' ' ' LEU . 2.2 mt -95.39 160.53 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.536 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.2 tt -108.38 140.3 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 12.7 mm -117.31 130.97 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.48 141.04 36.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.465 ' HB2' ' CB ' ' A' ' 49' ' ' ASP . 2.7 m -112.34 103.91 12.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.047 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.531 HG23 ' CD2' ' A' ' 48' ' ' PHE . 8.0 pt -121.51 154.56 59.66 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.81 20.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.426 1.75 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.55 -25.42 26.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.578 1.174 . . . . 0.0 111.029 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.457 HG23 ' CG2' ' A' ' 67' ' ' ILE . 2.3 mp -107.44 150.64 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.394 0.702 . . . . 0.0 109.355 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 64' ' ' ILE . 15.9 m -81.96 -62.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -155.24 141.89 18.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.457 ' CG2' HG23 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.69 150.4 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.8 mt-10 -107.79 137.28 46.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.477 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -118.48 140.74 40.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.459 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -135.24 88.29 26.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.559 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.4 Cg_endo -74.96 127.5 10.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.58 1.831 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -131.34 149.41 52.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 109.273 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -56.96 -35.27 68.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.68 -63.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.259 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 1.0 OUTLIER -153.78 178.28 10.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.187 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.459 HG21 ' CG2' ' A' ' 28' ' ' VAL . 4.2 pt -126.25 158.53 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -144.78 154.1 42.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 t -132.74 149.53 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.393 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -133.52 130.2 38.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.4 p -110.48 163.97 13.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -110.82 -76.06 0.83 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -146.14 138.93 25.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.43 ' HB3' ' CG ' ' A' ' 89' ' ' LYS . 2.9 m-85 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.592 1.183 . . . . 0.0 110.967 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.442 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.509 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -52.82 -28.66 23.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.202 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.62 -32.28 69.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.442 ' HB2' ' CB ' ' A' ' 88' ' ' ASP . . . -75.11 -50.17 17.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.6 m -63.41 -26.69 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 2.3 t -62.89 -37.65 79.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 95' ' ' THR . 1.6 ppt_? -68.62 -25.02 64.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.469 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 2.9 m -86.43 -31.78 21.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -74.46 -43.07 57.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.403 1.065 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.9 -39.74 87.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -36.7 84.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 109.366 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CD2' HD11 ' A' ' 100' ' ' ILE . 15.7 t80 -65.29 -51.52 60.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.573 HD11 ' CD2' ' A' ' 99' ' ' PHE . 46.7 mm -70.46 -39.35 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 105' ' ' GLY . 34.8 tt0 -55.13 -35.07 64.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.03 -25.15 23.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 mp -80.61 -18.99 46.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.579 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 74.6 p -115.14 -46.74 2.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.57 ' HA3' ' CZ ' ' A' ' 32' ' ' PHE . . . 107.27 -36.06 4.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.574 1.171 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 111.071 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.9 ttp . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.454 0.169 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.7 148.13 30.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -108.41 128.55 54.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.573 ' CD2' HG22 ' A' ' 100' ' ' ILE . 31.2 m-85 -118.46 144.89 36.12 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.454 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 167.04 27.93 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -117.66 144.18 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -90.0 145.72 24.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -66.77 99.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.372 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.42 -39.32 2.32 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.582 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 2.1 m-85 -50.34 161.65 0.59 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 128.51 11.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 t -138.38 30.93 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.03 147.55 50.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 9.9 m-85 -48.0 -53.79 15.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -60.95 -51.62 68.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -52.8 37.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.87 -36.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -56.27 -40.38 74.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.239 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.4 mpt_? -76.9 -35.71 57.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -35.26 79.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.457 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 21.0 mt -65.46 -52.42 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 t -70.51 -34.94 72.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.7 mm-40 -63.6 -25.01 68.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.618 ' CD1' ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -86.39 -26.03 24.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.72 29.16 2.96 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.609 1.193 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.618 ' CE2' ' CD1' ' A' ' 46' ' ' LEU . 14.7 m-30 -119.76 176.17 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.806 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.89 162.19 18.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 p -139.9 133.73 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.067 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -110.75 143.73 40.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.0 p -104.22 102.54 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.946 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.57 96.17 6.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.398 1.061 . . . . 0.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.09 -108.31 2.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -117.27 -1.62 11.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 56' ' ' LEU . 2.7 mt -96.41 154.64 17.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.557 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.5 tt -106.64 138.09 34.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 36.9 mm -117.69 136.81 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.47 139.12 39.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.32 96.28 6.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.074 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.8 pt -121.81 153.03 60.03 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 136.3 20.23 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.523 1.802 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.475 ' CA ' HG12 ' A' ' 92' ' ' VAL . . . 99.54 -25.14 29.41 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 65' ' ' SER . 4.3 mt -107.02 162.25 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.41 0.712 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.439 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 31.7 t -96.54 -62.51 1.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.33 135.49 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 110.218 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.56 148.55 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.472 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 5.3 mt-10 -108.38 136.57 47.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -119.37 138.52 49.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.482 ' CB ' ' CD2' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -133.05 88.46 36.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.57 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -74.9 132.57 15.71 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.17 148.71 46.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -55.57 -43.26 75.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -64.31 0.9 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.475 ' CD ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -150.53 -166.49 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.0 pt -141.04 155.21 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.536 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -140.21 153.48 46.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.401 1.063 . . . . 0.0 109.284 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.508 HG21 ' CD2' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -133.2 147.2 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.437 ' OD1' ' CB ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -134.89 127.77 31.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.5 p -97.53 145.92 25.77 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.457 1.098 . . . . 0.0 110.376 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -100.2 -100.02 2.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -115.82 113.73 23.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.594 0.82 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.535 ' CE2' HG22 ' A' ' 92' ' ' VAL . 1.4 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 91' ' ' ALA . 8.7 m-20 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -29.07 7.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.03 -34.8 59.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -73.08 -51.12 19.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.535 HG22 ' CE2' ' A' ' 83' ' ' TYR . 4.9 m -59.16 -33.37 50.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.413 ' O ' ' CG ' ' A' ' 97' ' ' ASN . 2.9 t -72.7 -44.71 59.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -63.16 -27.35 69.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.453 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 16.7 m -86.66 -26.51 24.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.375 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -78.49 -34.55 47.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 93' ' ' VAL . 4.5 m120 -73.01 -41.43 64.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.185 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.64 -37.83 82.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.43 ' CD2' HD13 ' A' ' 100' ' ' ILE . 39.6 t80 -67.12 -48.04 69.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.573 HG22 ' CD2' ' A' ' 26' ' ' TYR . 50.0 mm -70.41 -38.27 73.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.615 1.197 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -54.82 -32.67 60.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.55 -22.51 28.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.7 mp -89.16 -13.31 38.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.374 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.48 ' CG2' HG21 ' A' ' 100' ' ' ILE . 81.7 p -113.86 -48.79 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.596 1.185 . . . . 0.0 110.454 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.569 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 81.86 3.22 90.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.578 1.174 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.454 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 5.7 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.812 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.449 ' CE ' ' HB2' ' A' ' 77' ' ' LEU . 7.7 ttt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.503 0.192 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.42 132.47 53.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -87.6 140.38 29.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.297 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.573 ' CD2' HG23 ' A' ' 78' ' ' VAL . 23.4 m-85 -116.92 142.55 30.0 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 172.22 16.78 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.444 1.76 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.485 ' CG2' HG21 ' A' ' 76' ' ' ILE . 2.1 t -123.41 140.82 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 2.0 tpmt? -99.38 146.45 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 3.7 mptt -64.98 112.15 3.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.24 28.91 2.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 29' ' ' LYS . 17.0 m-85 -131.02 155.0 82.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 138.24 22.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 p -133.84 31.69 3.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.16 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.89 149.64 49.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.161 . . . . 0.0 109.216 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.569 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 10.9 m-85 -53.3 -55.31 25.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.572 1.17 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -50.25 74.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 1.086 . . . . 0.0 109.357 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -50.0 -52.96 29.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.058 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 71' ' ' PRO . 52.5 mt -64.8 -40.07 87.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.45 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 1.6 mtmt -50.11 -37.2 32.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.1 mpt_? -77.44 -39.8 45.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.203 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -63.18 -33.88 76.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.497 ' CG2' ' CB ' ' A' ' 48' ' ' PHE . 11.2 mt -69.61 -55.17 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -68.09 -24.08 65.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.2 mm-40 -70.7 -19.98 62.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.596 HD13 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -98.11 -21.54 16.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.15 27.85 3.54 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.491 1.119 . . . . 0.0 111.06 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.596 ' CE1' HD13 ' A' ' 46' ' ' LEU . 9.3 m-30 -113.76 172.11 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.07 161.71 18.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.45 ' CG2' ' HG2' ' A' ' 40' ' ' LYS . 1.9 p -142.15 127.51 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.608 ' N ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -103.44 142.69 33.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -106.19 88.52 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.956 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -94.78 103.95 15.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.97 -104.88 0.73 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -118.61 -0.05 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mt -99.96 154.83 18.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.569 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -115.19 135.03 56.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.478 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 34.1 mm -115.08 131.32 67.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.62 140.55 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.8 t -108.79 104.63 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.549 HG22 ' CD2' ' A' ' 48' ' ' PHE . 11.0 pt -126.21 152.94 74.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.74 16.97 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.771 . . . . 0.0 111.062 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.56 -25.91 26.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.09 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.465 HG22 ' CG2' ' A' ' 67' ' ' ILE . 3.1 mp -107.97 148.89 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.736 . . . . 0.0 109.231 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.415 ' N ' HG21 ' A' ' 64' ' ' ILE . 30.4 t -81.41 -62.71 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -155.12 139.27 16.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.465 ' CG2' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -136.58 152.77 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.478 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 8.3 mt-10 -107.07 135.95 47.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.481 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -121.0 136.9 56.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.02 88.9 17.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.604 1.19 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -75.02 130.83 13.62 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.458 1.767 . . . . 0.0 111.066 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.53 148.58 49.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -49.98 -40.13 43.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.74 -67.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.15 -168.46 3.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.07 . . . . 0.0 109.254 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.485 HG21 ' CG2' ' A' ' 28' ' ' VAL . 2.7 pt -134.69 158.88 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -141.32 154.49 45.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.381 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.573 HG23 ' CD2' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -132.59 147.18 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -129.02 123.99 33.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 75.7 p -97.99 151.69 20.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.46 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.12 -88.21 1.42 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -119.49 119.16 33.04 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.471 0.748 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.591 1.182 . . . . 0.0 111.009 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 91' ' ' ALA . 7.2 m-20 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 2.6 pttt -49.42 -24.82 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.06 -37.13 58.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -73.72 -50.56 20.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 89' ' ' LYS . 5.0 m -58.35 -32.49 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.637 1.211 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 2.0 t -52.46 -33.15 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.463 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -66.82 -29.58 69.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.6 m -84.6 -32.47 23.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -74.37 -36.75 63.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.75 -40.63 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.16 -38.29 82.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.275 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.547 ' CE1' HD22 ' A' ' 103' ' ' LEU . 29.3 t80 -64.04 -43.88 94.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.573 HG23 ' CD2' ' A' ' 26' ' ' TYR . 21.5 mm -75.49 -37.72 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -54.97 -34.51 63.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.352 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.62 -17.12 29.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.378 1.049 . . . . 0.0 109.338 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.547 HD22 ' CE1' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -90.05 -16.55 29.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 100' ' ' ILE . 47.4 p -122.72 -42.81 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.512 ' HA3' ' CZ ' ' A' ' 32' ' ' PHE . . . 102.42 -33.85 6.21 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.566 ' CE1' ' HE3' ' A' ' 29' ' ' LYS . 31.3 m-85 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.45 0.735 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.5 ttp . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.443 0.163 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -113.12 138.4 49.99 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.538 1.149 . . . . 0.0 110.198 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -100.09 134.62 42.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CE2' HG22 ' A' ' 78' ' ' VAL . 16.0 m-85 -121.98 143.3 38.39 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 175.08 11.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.4 p -130.14 139.94 50.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.603 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -85.8 146.66 26.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -69.12 116.53 9.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.371 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.12 -27.03 8.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.603 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 5.6 m-85 -66.02 160.56 62.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.394 0.702 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 131.26 14.08 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.46 ' O ' ' CG2' ' A' ' 34' ' ' THR . 1.1 m -125.85 5.29 7.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -96.88 139.73 32.49 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.485 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.9 m-85 -48.32 -55.04 11.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.611 1.194 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -45.51 88.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.6 m -52.84 -45.87 67.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.6 mt -69.43 -37.32 74.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.635 1.21 . . . . 0.0 109.355 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.51 -36.42 61.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 109.361 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.1 mpt_? -77.26 -33.39 55.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -65.84 -43.23 89.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.476 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 20.0 mt -61.35 -54.49 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.0 t -65.54 -34.17 77.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.943 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -58.1 -36.13 72.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.603 HD12 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -80.67 -25.86 37.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.77 34.61 1.67 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.432 1.082 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CE1' HD12 ' A' ' 46' ' ' LEU . 10.8 m-30 -119.97 172.39 7.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.759 . . . . 0.0 111.046 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.71 161.09 16.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.11 129.32 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.632 1.208 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -113.35 146.6 39.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.5 p -104.08 114.59 28.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.932 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -111.98 95.48 5.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.36 -102.24 0.65 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.449 1.093 . . . . 0.0 111.041 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' C ' HD22 ' A' ' 56' ' ' LEU . 11.7 m-20 -118.6 -1.43 11.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 109.379 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 56' ' ' LEU . 2.5 mt -97.73 159.15 15.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.485 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -107.57 139.33 29.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.157 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 10.2 mm -119.19 137.99 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.66 144.09 36.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.225 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.5 104.47 12.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.427 ' CD1' HD12 ' A' ' 64' ' ' ILE . 9.2 pt -129.87 146.9 63.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.366 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 137.43 21.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.437 1.756 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.13 -24.46 32.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.427 HD12 ' CD1' ' A' ' 61' ' ' ILE . 5.7 mt -106.49 159.77 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.42 0.718 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.1 t -92.37 -62.33 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 110.029 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.02 139.91 17.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.07 144.13 31.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.462 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.2 mt-10 -114.31 138.26 50.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.601 1.188 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 69' ' ' ILE . 2.6 mp -123.84 144.18 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.451 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -136.87 92.2 14.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.463 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.0 Cg_endo -75.06 127.21 10.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.31 149.95 50.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.403 1.064 . . . . 0.0 109.383 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -52.57 -29.01 23.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.396 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -79.1 -65.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.11 -166.66 2.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.447 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.8 pt -134.57 157.32 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -142.2 154.14 44.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.568 HG22 ' CE2' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -133.22 148.27 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -131.44 122.74 26.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 47.0 p -101.49 144.91 29.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.437 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.85 -95.17 0.49 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -143.31 106.43 4.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.508 0.769 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.478 ' CE2' HG22 ' A' ' 92' ' ' VAL . 4.5 m-30 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 91' ' ' ALA . 3.1 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 10.2 mttp -49.13 -28.5 4.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.478 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.2 OUTLIER -76.41 -36.72 57.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.176 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -69.24 -51.87 33.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 109.212 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.478 HG22 ' CE2' ' A' ' 83' ' ' TYR . 35.6 m -56.99 -52.52 54.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.5 t -55.69 -40.35 59.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 90' ' ' LEU . 9.3 mmt85 -62.44 -32.88 73.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.0 m -85.34 -40.16 16.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.406 ' CE1' HG13 ' A' ' 100' ' ' ILE . 29.5 t80 -65.41 -41.82 93.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.157 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -63.34 -40.88 98.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -59.77 -36.08 75.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 99' ' ' PHE . 2.9 t80 -74.75 -47.15 32.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.481 HG23 ' CE2' ' A' ' 26' ' ' TYR . 33.7 mm -66.04 -49.46 76.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -50.59 -31.32 15.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -83.27 -24.91 32.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 100' ' ' ILE . 1.9 mp -90.0 -13.54 35.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 100' ' ' ILE . 38.2 p -111.61 -34.1 6.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.585 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 65.48 9.32 43.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.519 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 3.0 m-85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.0 ttm . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.563 0.22 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.95 139.66 32.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 110.238 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -93.37 163.92 13.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.559 ' CE2' HG11 ' A' ' 78' ' ' VAL . 46.9 m-85 -163.28 137.93 4.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.6 Cg_endo -74.9 168.93 23.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.7 p -125.39 145.3 32.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.528 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -89.15 147.0 24.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.366 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 15.7 tttm -73.7 100.42 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.64 -39.54 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 2.1 m-85 -46.2 167.0 0.15 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.497 0.763 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.425 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.1 Cg_endo -75.08 130.31 13.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.4 p -130.17 21.82 5.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.47 141.98 48.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.568 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.0 m-85 -47.57 -56.27 7.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -56.67 -46.29 81.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.425 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 3.0 m -55.88 -50.24 71.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.437 HG22 ' CD2' ' A' ' 103' ' ' LEU . 56.3 mt -68.17 -33.62 61.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.374 1.047 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.41 ' HG3' ' CG2' ' A' ' 50' ' ' VAL . 3.1 mtpt -56.99 -42.52 80.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.16 . . . . 0.0 109.338 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.3 mpt_? -71.35 -32.11 68.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -64.53 -40.58 95.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG2' ' CB ' ' A' ' 48' ' ' PHE . 17.8 mt -61.72 -55.21 25.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.415 1.072 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 t -66.55 -34.4 77.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 110.058 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 2.0 mm-40 -64.08 -26.52 68.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 0.0 110.313 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.585 HD12 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.6 -21.85 22.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.079 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.66 25.33 5.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.373 1.046 . . . . 0.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.585 ' CE1' HD12 ' A' ' 46' ' ' LEU . 10.7 m-30 -113.7 177.82 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.23 160.28 23.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.41 ' CG2' ' HG3' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -138.4 137.04 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -113.99 144.33 43.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -99.91 99.52 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -108.29 115.8 30.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 52.39 -109.06 0.79 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.52 3.78 10.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.798 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mt -99.47 157.67 16.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.568 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.7 OUTLIER -103.16 133.98 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.078 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.458 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 24.0 mm -114.19 127.42 71.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . . . -105.0 133.85 49.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.387 1.054 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 t -102.7 112.52 25.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 110.049 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.569 HG21 ' CD2' ' A' ' 48' ' ' PHE . 8.7 pt -133.37 153.9 80.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.78 22.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.46 -26.74 22.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.414 HG23 ' CG2' ' A' ' 67' ' ' ILE . 3.1 mp -108.56 156.49 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -89.63 -61.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -154.7 135.67 13.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.414 ' CG2' HG23 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -133.24 153.58 37.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.458 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 4.7 mt-10 -115.58 137.46 52.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.95 143.43 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.418 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 2.5 mppt? -137.89 92.19 12.89 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 138.33 22.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.86 148.67 37.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -63.32 -18.45 63.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -90.39 -65.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.75 -175.19 4.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.428 ' CD1' HG23 ' A' ' 104' ' ' THR . 1.3 pt -132.57 150.75 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -136.08 156.53 48.59 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.559 HG11 ' CE2' ' A' ' 26' ' ' TYR . 4.3 m -126.27 143.8 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -136.77 111.89 9.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.2 p -94.72 168.28 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.09 -72.89 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -134.54 133.75 40.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.424 ' CE2' HG22 ' A' ' 92' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.463 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 1.8 m-20 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 24.3 mttm -48.44 -45.46 36.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.597 1.186 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.9 -27.2 68.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.263 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -75.77 -51.27 13.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.424 HG22 ' CE2' ' A' ' 83' ' ' TYR . 4.7 m -69.02 -21.72 25.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 2.2 t -57.32 -41.07 77.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.499 ' C ' ' CD ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -64.68 -26.88 68.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.1 m -86.57 -30.48 21.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -65.89 -49.4 68.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 101' ' ' GLU . 7.9 m-20 -68.55 -37.87 80.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -52.95 -40.89 64.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 59' ' ' ALA . 13.5 t80 -67.95 -38.66 83.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.502 ' O ' ' CG2' ' A' ' 104' ' ' THR . 10.7 mm -74.85 -31.12 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -60.39 -35.21 75.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -19.81 33.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.437 ' CD2' HG22 ' A' ' 39' ' ' ILE . 2.5 mp -91.38 -11.8 36.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 100' ' ' ILE . 60.7 p -116.3 -42.79 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.595 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 82.52 6.31 88.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.113 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.487 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 6.2 m-85 . . . . . 0 C--N 1.326 -0.414 0 O-C-N 124.546 0.792 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.55 0.214 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -105.1 128.79 53.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.362 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -97.88 128.27 44.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.576 ' CE2' HG21 ' A' ' 100' ' ' ILE . 24.4 m-85 -117.14 149.31 44.13 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.532 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.1 Cg_endo -75.07 169.62 22.2 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.539 ' CG2' ' CG2' ' A' ' 76' ' ' ILE . 15.5 t -129.72 128.59 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.258 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -70.06 144.48 52.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 15.1 mttt -67.37 105.6 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.2 -43.85 1.42 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 2.4 m-85 -42.66 165.77 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.443 0.731 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 131.73 14.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.782 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.449 ' CG2' HG12 ' A' ' 28' ' ' VAL . 38.5 p -135.12 27.34 3.52 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -121.32 148.15 44.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.559 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 9.4 m-85 -55.72 -52.11 65.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.98 -48.02 81.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -56.28 -52.98 62.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.634 1.209 . . . . 0.0 110.063 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.46 HG22 ' CD1' ' A' ' 43' ' ' ILE . 48.0 mt -64.19 -39.41 85.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HG3' ' CG1' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -50.68 -48.29 58.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.51 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.7 mpt_? -77.18 -29.73 54.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -39.0 90.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.487 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 9.4 mt -66.88 -53.12 37.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -67.79 -26.39 66.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -64.95 -19.18 65.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.606 HD12 ' CE1' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -96.42 -21.42 17.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.601 1.188 . . . . 0.0 109.248 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.37 32.57 2.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.404 1.065 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.606 ' CE1' HD12 ' A' ' 46' ' ' LEU . 11.2 m-30 -118.78 177.61 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.29 162.39 17.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.464 ' CG1' ' HG3' ' A' ' 40' ' ' LYS . 2.6 p -138.95 128.99 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -114.36 144.71 42.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 p -102.61 116.2 32.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.938 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -117.59 90.98 3.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.339 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.16 -106.5 1.99 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' C ' HD21 ' A' ' 56' ' ' LEU . 6.3 m-20 -118.48 -0.71 11.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 0.774 . . . . 0.0 109.233 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.434 ' N ' HD21 ' A' ' 56' ' ' LEU . 3.8 mt -96.83 160.2 14.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.517 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -105.54 139.63 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 23.6 mm -119.91 132.66 69.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.57 139.64 43.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.57 1.169 . . . . 0.0 109.228 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.15 101.33 10.12 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.443 1.09 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.542 HG22 ' CD2' ' A' ' 48' ' ' PHE . 14.8 pt -122.66 153.21 62.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.57 ' HD3' ' CE1' ' A' ' 48' ' ' PHE . 18.2 Cg_endo -75.03 134.16 17.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.405 ' HA3' ' CG1' ' A' ' 92' ' ' VAL . . . 100.5 -25.46 28.22 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.56 1.163 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.477 HD13 ' CD1' ' A' ' 61' ' ' ILE . 4.0 mp -107.42 151.13 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -86.57 -62.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -155.3 138.32 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.409 ' CG2' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.7 144.33 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.394 1.059 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.461 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 3.9 mt-10 -106.55 136.79 45.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.466 HG13 ' CG1' ' A' ' 78' ' ' VAL . 3.0 mp -125.36 141.23 45.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -136.31 93.1 15.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.364 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.559 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.1 Cg_endo -75.01 129.17 12.09 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.802 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.79 149.84 52.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.247 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -52.89 -28.42 23.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.444 ' CD ' ' HE2' ' A' ' 75' ' ' LYS . 7.5 ttm180 -77.87 -67.78 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.444 ' HE2' ' CD ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -153.04 -172.05 4.12 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.604 1.19 . . . . 0.0 109.396 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.539 ' CG2' ' CG2' ' A' ' 28' ' ' VAL . 7.2 pt -128.39 162.34 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -149.84 151.17 33.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.544 1.153 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.498 HG23 ' CD2' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -133.5 146.71 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 3.1 p-10 -136.47 132.86 35.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.3 p -106.75 165.72 11.11 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.416 1.073 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.78 -82.03 0.9 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.607 1.192 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -130.9 105.73 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 111.046 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.4 m-20 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -49.59 -25.43 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.33 -35.29 58.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -75.37 -51.79 12.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' TYR . 4.1 m -54.83 -34.47 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 2.7 t -58.17 -44.48 87.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.365 1.041 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.9 mmm-85 -63.36 -31.46 72.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.191 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.1 m -85.3 -26.18 26.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.47 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 92' ' ' VAL . 43.4 t80 -74.49 -55.63 5.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -58.41 -39.02 78.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -54.98 -38.73 68.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 0.0 109.39 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -75.75 -38.86 58.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.576 HG21 ' CE2' ' A' ' 26' ' ' TYR . 15.2 mm -68.96 -52.49 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' GLY . 86.6 mt-10 -49.76 -27.57 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.349 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.43 -27.19 24.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 100' ' ' ILE . 3.5 mp -89.19 -15.0 34.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 100' ' ' ILE . 22.5 p -113.17 -33.74 5.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.472 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.579 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 73.87 2.05 60.46 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.401 1.063 . . . . 0.0 111.059 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.532 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 3.6 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 78' ' ' VAL . 1.2 ttt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.508 0.194 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.44 143.21 49.37 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.437 ' HG3' ' CE ' ' A' ' 23' ' ' MET . 1.0 OUTLIER -106.28 126.76 52.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.359 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.546 ' CE2' HG12 ' A' ' 78' ' ' VAL . 76.1 m-85 -115.13 143.74 30.83 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.535 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.4 Cg_endo -74.92 -174.5 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.612 1.849 . . . . 0.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.478 ' CG2' HG21 ' A' ' 76' ' ' ILE . 1.7 t -131.51 142.7 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.581 1.176 . . . . 0.0 109.39 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.52 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -94.47 143.61 26.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -67.41 99.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.7 -43.0 1.36 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 3.2 m-85 -48.37 157.69 0.67 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.446 0.733 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.433 ' CB ' ' HB2' ' A' ' 38' ' ' SER . 18.4 Cg_endo -75.01 136.97 21.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.7 p -128.79 33.15 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.43 162.21 24.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.568 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 6.9 m-85 -68.23 -48.6 64.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -52.43 65.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.433 ' HB2' ' CB ' ' A' ' 33' ' ' PRO . 80.8 p -49.93 -52.91 29.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.596 1.185 . . . . 0.0 110.03 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.457 HG21 ' CD2' ' A' ' 103' ' ' LEU . 90.4 mt -65.46 -40.76 89.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 109.409 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.466 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 5.6 mtpm? -53.06 -45.38 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' GLU . 1.9 mpt_? -68.7 -35.18 76.84 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.407 1.067 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -64.73 -39.35 93.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.469 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 37.0 mt -64.69 -50.32 76.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -71.2 -25.23 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.048 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' ARG . 1.1 mm-40 -77.94 -20.96 51.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.573 HD13 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -92.26 -19.76 21.84 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.148 . . . . 0.0 109.371 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.07 21.22 7.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.433 1.083 . . . . 0.0 111.026 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.573 ' CE1' HD13 ' A' ' 46' ' ' LEU . 11.7 m-30 -112.04 178.03 4.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.37 160.9 22.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 0.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 40' ' ' LYS . 2.4 p -140.4 130.5 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -111.28 144.56 40.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.6 m -107.94 98.66 8.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.952 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -101.54 89.76 3.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.337 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.27 -111.12 3.22 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.8 -1.13 12.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 56' ' ' LEU . 2.3 mt -96.59 159.79 14.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.568 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.2 tt -110.36 141.25 26.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.08 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 14.2 mm -124.56 128.55 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.93 135.51 39.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.22 96.8 6.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.557 HG21 ' CD2' ' A' ' 48' ' ' PHE . 10.4 pt -119.43 152.79 53.33 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.185 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.32 16.49 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.441 1.758 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.02 -24.85 30.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.469 HD12 ' CD1' ' A' ' 61' ' ' ILE . 3.4 mp -107.07 148.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.418 ' N ' HG23 ' A' ' 64' ' ' ILE . 22.9 t -83.3 -62.23 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 110.048 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.88 141.41 18.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.41 ' CG2' HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -141.52 151.38 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.468 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 8.9 mt-10 -110.22 142.19 42.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.415 HG12 ' CG2' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -127.31 136.68 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.227 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -138.49 91.25 12.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.531 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.7 Cg_endo -74.94 135.61 19.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -134.4 147.7 50.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.218 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -54.76 -31.61 58.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.159 . . . . 0.0 109.356 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.23 -69.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -146.5 178.94 7.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.478 HG21 ' CG2' ' A' ' 28' ' ' VAL . 4.0 pt -124.59 157.82 32.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -139.12 152.96 47.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.546 HG12 ' CE2' ' A' ' 26' ' ' TYR . 4.8 m -123.78 138.74 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -129.27 115.35 17.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.0 p -99.13 173.3 6.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -126.46 -74.56 0.21 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -139.51 135.89 33.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.417 0.716 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.416 1.072 . . . . 0.0 111.01 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.458 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 3.1 m-20 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 22.9 mttp -48.21 -26.55 1.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 94' ' ' ARG . 0.4 OUTLIER -77.42 -47.84 18.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -61.34 -52.88 62.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 89' ' ' LYS . 23.3 m -53.43 -44.25 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.61 -37.91 75.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.501 ' HA ' ' ND2' ' A' ' 97' ' ' ASN . 5.8 mmt85 -65.51 -34.82 79.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -85.83 -25.26 26.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -80.97 -51.68 8.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.504 ' OD1' ' C ' ' A' ' 97' ' ' ASN . 0.9 OUTLIER -65.96 -37.02 84.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 17.9 t70 -63.91 -39.52 94.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.536 1.147 . . . . 0.0 109.367 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.451 ' CE2' HD21 ' A' ' 103' ' ' LEU . 39.6 t80 -64.94 -48.82 72.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.532 HG23 ' CE2' ' A' ' 26' ' ' TYR . 14.9 mm -65.46 -42.52 93.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -51.98 -35.6 46.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.239 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.36 -28.28 31.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.457 ' CD2' HG21 ' A' ' 39' ' ' ILE . 4.5 mp -81.13 -17.2 50.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.216 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 100' ' ' ILE . 66.7 p -108.63 -37.33 5.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.587 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 89.31 -30.11 5.76 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.535 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 4.1 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.438 0.161 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 3.2 mmp_? -95.98 142.98 27.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.458 1.099 . . . . 0.0 110.147 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.71 123.96 47.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.564 ' CD2' HG22 ' A' ' 100' ' ' ILE . 16.2 m-85 -119.46 146.87 42.14 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.537 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.4 Cg_endo -74.99 170.0 21.39 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.475 HG23 ' CG2' ' A' ' 34' ' ' THR . 14.9 p -129.27 119.68 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.598 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -60.86 146.14 47.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -70.97 106.98 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 124.32 -45.1 1.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.6 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 3.7 m-85 -42.62 165.28 0.1 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.547 0.793 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.451 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.6 Cg_endo -74.93 130.3 13.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.781 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.475 ' CG2' HG23 ' A' ' 28' ' ' VAL . 15.5 p -130.22 27.05 5.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -120.84 145.64 47.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 8.6 m-85 -49.97 -54.87 17.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -60.01 -48.86 79.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.451 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 4.6 m -50.44 -52.9 33.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.402 ' CG2' HD13 ' A' ' 103' ' ' LEU . 55.2 mt -65.01 -37.81 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.481 ' HG3' ' CG1' ' A' ' 50' ' ' VAL . 0.5 OUTLIER -54.83 -39.36 68.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.3 mpt_? -76.98 -35.58 57.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.595 1.184 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -33.99 76.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.454 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 17.9 mt -68.07 -51.39 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 48' ' ' PHE . 8.4 t -70.99 -31.39 67.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 2.5 mm-40 -66.72 -21.87 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.248 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.6 ' CD1' ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.98 -24.7 21.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.97 27.23 3.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.429 1.081 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CE2' ' CD1' ' A' ' 46' ' ' LEU . 15.1 m-30 -118.08 177.84 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 111.048 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.2 OUTLIER -116.57 162.01 18.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.481 ' CG1' ' HG3' ' A' ' 40' ' ' LYS . 2.1 p -142.38 129.3 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -109.43 143.43 39.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.229 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -104.35 102.96 12.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.02 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -104.9 115.11 29.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 53.65 -107.84 0.69 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -117.13 -2.18 11.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 0.793 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 56' ' ' LEU . 2.3 mt -95.69 161.94 13.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.523 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -111.13 143.08 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.324 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 7.3 mm -123.68 137.5 56.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.379 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.98 141.93 38.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -111.94 100.72 9.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.485 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 11.5 pt -121.07 156.29 57.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.548 ' HD3' ' CE1' ' A' ' 48' ' ' PHE . 18.3 Cg_endo -75.01 131.26 14.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.451 ' CA ' HG11 ' A' ' 92' ' ' VAL . . . 100.57 -26.51 24.31 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.134 . . . . 0.0 110.961 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.485 ' HB ' ' CG1' ' A' ' 61' ' ' ILE . 4.1 mp -108.37 140.75 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.437 ' N ' HG21 ' A' ' 64' ' ' ILE . 0.6 OUTLIER -73.96 -62.74 1.4 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 0.0 110.016 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.51 140.93 17.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.4 ' CD1' HG23 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -137.32 151.01 26.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.352 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.3 mt-10 -106.64 137.18 45.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.278 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.465 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -119.24 138.65 49.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.473 ' CB ' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -135.22 88.35 26.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 134.71 18.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 1.6 t0 -138.59 148.0 43.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -56.41 -30.02 62.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.412 ' N ' ' HG2' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -80.53 -64.89 1.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.276 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -150.64 -174.38 4.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.486 ' CD1' HG23 ' A' ' 104' ' ' THR . 1.7 pt -134.45 156.8 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.518 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -142.23 155.06 45.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.503 HG23 ' CE2' ' A' ' 26' ' ' TYR . 2.0 t -133.14 149.05 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -131.94 133.91 45.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.1 p -110.02 138.57 46.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.378 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.24 -93.59 1.8 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.89 110.51 17.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.458 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 12.1 m-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -49.04 -30.17 5.93 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.441 1.088 . . . . 0.0 109.379 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tp -76.37 -34.13 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -75.24 -52.47 10.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.406 1.066 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.451 HG11 ' CA ' ' A' ' 63' ' ' GLY . 2.8 m -53.37 -31.24 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 3.8 t -55.82 -40.7 63.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.382 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.492 ' C ' ' CD ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -62.68 -31.11 71.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 0.0 110.385 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 23.5 m -85.87 -30.54 22.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 1.046 . . . . 0.0 110.353 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -68.42 -45.82 71.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.49 -38.55 77.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -55.41 -37.71 67.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.389 1.056 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.564 ' CE2' HD21 ' A' ' 103' ' ' LEU . 11.1 t80 -72.54 -52.73 14.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.564 HG22 ' CD2' ' A' ' 26' ' ' TYR . 30.7 mm -58.58 -34.38 51.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 105' ' ' GLY . 24.9 tt0 -55.88 -43.14 76.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.233 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.08 -17.83 30.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.073 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -80.22 -28.81 38.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.248 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.486 HG23 ' CD1' ' A' ' 76' ' ' ILE . 71.6 p -112.38 -34.58 5.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.103 . . . . 0.0 110.386 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.6 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 92.71 -25.48 18.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.537 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 12.4 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.735 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.9 ttt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.477 0.18 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.492 ' HD2' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -109.78 142.91 40.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 110.335 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.97 124.23 47.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.557 ' CE2' HG21 ' A' ' 100' ' ' ILE . 50.1 m-85 -115.91 139.54 25.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.947 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.545 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 164.95 32.32 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.481 ' CG2' HG22 ' A' ' 76' ' ' ILE . 6.7 t -121.37 135.14 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.583 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -80.27 143.55 33.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 3.8 ttmt -65.76 107.71 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 121.26 -41.3 1.92 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 2.6 m-85 -47.82 162.35 0.32 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.591 0.818 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.419 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.3 Cg_endo -75.08 131.36 14.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.812 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.409 ' CG2' HG13 ' A' ' 28' ' ' VAL . 9.9 p -133.48 26.53 4.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.41 144.43 45.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.572 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 7.7 m-85 -48.84 -54.57 14.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -57.78 -47.09 83.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.381 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.419 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 61.9 m -52.82 -52.89 55.22 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.438 1.087 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.463 HG21 ' CD2' ' A' ' 103' ' ' LEU . 11.5 mt -64.28 -37.84 80.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.47 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 7.7 mttm -53.35 -41.82 66.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -77.24 -32.53 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -66.4 -38.84 88.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.479 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 9.3 mt -63.44 -55.05 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.166 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.9 t -65.77 -34.83 79.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.41 -31.62 66.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.606 HD11 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -83.62 -25.26 30.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.77 33.54 1.86 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.606 ' CE1' HD11 ' A' ' 46' ' ' LEU . 11.1 m-30 -119.5 178.29 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.5 162.29 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 40' ' ' LYS . 2.7 p -139.59 129.01 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.389 1.056 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -111.73 144.54 40.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.88 114.53 28.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -114.65 91.6 3.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.51 -104.52 1.38 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.435 1.084 . . . . 0.0 110.976 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.17 -1.71 11.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.756 . . . . 0.0 109.356 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.42 ' N ' HD22 ' A' ' 56' ' ' LEU . 3.0 mt -96.41 158.78 15.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.558 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -107.18 138.42 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 6.3 mm -120.37 137.09 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.14 147.22 29.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.56 106.86 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.477 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 7.1 pt -129.95 152.73 80.44 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 136.17 20.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.61 -26.22 24.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.477 ' HB ' ' CG1' ' A' ' 61' ' ' ILE . 1.6 mp -108.02 147.25 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.356 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 64' ' ' ILE . 1.7 m -79.85 -62.19 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.097 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.3 144.57 21.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.32 149.7 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.232 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.468 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 4.6 mt-10 -115.2 136.6 52.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.205 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 69' ' ' ILE . 3.3 mp -128.27 144.59 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.351 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 2.0 mppt? -135.33 91.41 18.96 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -74.91 126.02 9.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.778 . . . . 0.0 111.085 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.4 152.63 48.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -54.01 -36.6 63.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -67.97 0.47 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 1.147 . . . . 0.0 110.234 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.39 -177.92 6.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 109.347 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.481 HG22 ' CG2' ' A' ' 28' ' ' VAL . 6.8 pt -125.45 160.2 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -147.12 152.47 38.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.404 HG23 ' CE2' ' A' ' 26' ' ' TYR . 3.2 t -133.35 149.18 31.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -134.48 123.42 23.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.4 p -95.85 133.88 39.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.21 -89.12 0.06 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.528 1.142 . . . . 0.0 111.051 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.76 107.85 4.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 0.732 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CD2' HG21 ' A' ' 92' ' ' VAL . 3.1 m-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.469 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 13.0 m-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.531 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 2.4 mttt -58.98 -23.05 61.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 94' ' ' ARG . 7.0 mp -77.92 -49.53 14.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -54.67 -54.42 41.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.566 HG21 ' CD2' ' A' ' 83' ' ' TYR . 2.6 m -55.12 -42.18 63.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.53 -36.92 77.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' LEU . 9.7 mmt180 -66.82 -39.4 87.68 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.617 1.198 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -83.15 -28.92 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 110.443 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 40.1 t80 -77.53 -34.31 53.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -66.42 -44.74 82.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -56.36 -37.29 69.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CE1' HD22 ' A' ' 103' ' ' LEU . 25.7 t80 -69.08 -41.01 78.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.408 1.068 . . . . 0.0 111.029 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.557 HG21 ' CE2' ' A' ' 26' ' ' TYR . 22.5 mm -73.86 -43.06 53.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.8 OUTLIER -56.32 -32.54 64.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.95 -27.81 26.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.368 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.57 HD22 ' CE1' ' A' ' 99' ' ' PHE . 2.9 mp -83.79 -17.39 41.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 100' ' ' ILE . 77.2 p -109.94 -40.91 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.427 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.587 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 87.47 -18.03 40.31 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.577 1.173 . . . . 0.0 111.056 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.545 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 4.0 m-85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.457 0.739 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.471 ' CG ' ' HB2' ' A' ' 79' ' ' ASN . 1.9 ttm . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.503 0.192 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -117.54 158.7 24.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -139.08 119.83 14.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.357 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -124.39 143.02 41.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.563 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.5 Cg_endo -74.85 170.66 19.88 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.807 . . . . 0.0 111.021 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.483 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.5 t -124.25 128.74 74.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.417 1.073 . . . . 0.0 109.288 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.595 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -71.75 147.07 47.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -66.17 103.81 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.393 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.36 -37.27 3.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 1.1 m-85 -49.29 159.76 0.6 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 111.051 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 126.74 10.19 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.5 t -136.5 33.81 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.41 152.5 47.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.577 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 18.3 m-85 -51.75 -54.76 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' NE ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -59.28 -51.89 68.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -52.76 33.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.403 HG22 ' CD2' ' A' ' 103' ' ' LEU . 63.5 mt -65.76 -42.21 91.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.462 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 7.5 mttp -51.96 -50.37 61.37 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.439 ' NE ' ' OD1' ' A' ' 37' ' ' ASP . 1.2 mpt_? -66.11 -34.02 77.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.372 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -67.09 -41.42 86.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.227 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.471 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 17.8 mt -59.73 -53.73 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.394 1.059 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.1 t -67.21 -39.24 86.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.045 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -26.98 61.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.246 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.603 HD11 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -86.48 -26.27 24.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.82 30.37 2.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CE1' HD11 ' A' ' 46' ' ' LEU . 13.1 m-30 -119.16 174.91 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 111.075 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.16 162.42 15.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.372 1.045 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 40' ' ' LYS . 2.5 p -141.29 128.14 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -109.35 144.19 37.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.39 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.1 p -103.5 103.7 13.69 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.465 1.103 . . . . 0.0 109.976 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.22 93.88 5.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.05 -102.97 0.91 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -118.62 -3.84 10.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.8 . . . . 0.0 109.396 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.435 ' N ' HD21 ' A' ' 56' ' ' LEU . 3.7 mt -95.0 159.91 14.81 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.577 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -110.71 141.4 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 5.9 mm -124.0 142.18 41.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.22 146.12 36.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.117 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.69 102.02 9.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.074 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.436 ' CD1' HD13 ' A' ' 64' ' ' ILE . 12.0 pt -124.32 151.81 66.95 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 133.9 17.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.568 1.825 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.3 -25.97 26.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.571 1.169 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.436 HD13 ' CD1' ' A' ' 61' ' ' ILE . 2.7 mp -107.87 150.0 10.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.513 0.773 . . . . 0.0 109.269 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.7 t -81.94 -62.72 1.55 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.4 1.062 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 -155.48 146.89 22.84 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -139.64 150.31 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.472 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 4.5 mt-10 -111.67 135.97 51.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.414 HD12 ' N ' ' A' ' 69' ' ' ILE . 2.6 mp -129.89 144.44 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.483 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -141.37 92.28 8.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.366 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -74.98 131.98 14.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.21 154.77 47.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -52.7 -40.62 63.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.4 1.062 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.99 -74.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.365 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.4 ' C ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -141.85 -168.4 2.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.483 HG23 ' CG2' ' A' ' 28' ' ' VAL . 9.5 pt -130.68 163.27 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.618 1.199 . . . . 0.0 109.258 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -145.91 153.5 40.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.82 147.83 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.471 ' HB2' ' CG ' ' A' ' 23' ' ' MET . 27.7 t30 -135.84 124.97 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.2 p -112.2 -177.92 3.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -125.97 -117.28 2.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.587 1.179 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.89 123.8 48.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.406 ' CE2' HG22 ' A' ' 92' ' ' VAL . 2.6 m-30 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 91' ' ' ALA . 6.2 m-20 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.478 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -48.89 -26.22 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.404 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.25 -38.26 51.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 109.354 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -68.76 -52.57 29.08 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.445 1.09 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 89' ' ' LYS . 34.4 m -53.52 -47.94 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.447 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 2.2 t -65.02 -33.03 60.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.491 ' HA ' ' ND2' ' A' ' 97' ' ' ASN . 0.2 OUTLIER -67.86 -37.62 82.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.267 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 m -86.59 -30.14 22.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.17 . . . . 0.0 110.358 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.413 ' O ' ' HB3' ' A' ' 99' ' ' PHE . 17.2 t80 -75.7 -55.31 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.541 ' OD1' ' C ' ' A' ' 97' ' ' ASN . 1.3 p30 -56.37 -31.84 64.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.2 OUTLIER -65.52 -40.39 92.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.505 ' CE1' HD21 ' A' ' 103' ' ' LEU . 1.9 t80 -66.98 -32.54 73.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.458 ' CG2' HG22 ' A' ' 104' ' ' THR . 29.2 mm -81.34 -36.98 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.3 tt0 -54.79 -33.26 61.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -86.31 -24.93 25.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.505 HD21 ' CE1' ' A' ' 99' ' ' PHE . 1.6 mp -81.95 -20.03 39.46 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.65 1.218 . . . . 0.0 109.28 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.458 HG22 ' CG2' ' A' ' 100' ' ' ILE . 70.0 p -112.34 -49.21 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.338 1.024 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.593 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 94.28 -20.21 49.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.563 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 6.7 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.54 0.21 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -101.36 134.8 43.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -105.05 121.37 43.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CD2' HG23 ' A' ' 100' ' ' ILE . 34.2 m-85 -115.56 149.79 43.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.445 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.07 172.06 17.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.62 1.853 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.476 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.4 t -121.95 149.32 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.535 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -98.42 146.43 25.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.226 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -69.67 118.16 12.19 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.418 1.074 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.88 -41.58 2.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.586 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 3.6 m-85 -48.1 161.5 0.37 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 111.071 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.418 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.0 Cg_endo -74.97 128.3 11.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.0 p -123.95 24.39 8.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.43 144.76 50.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.579 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 9.8 m-85 -46.9 -55.94 7.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.9 -52.25 66.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.418 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -51.46 -52.37 47.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 110.011 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.404 HG23 ' CD1' ' A' ' 103' ' ' LEU . 6.8 mt -64.82 -37.8 81.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.93 -37.5 60.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.3 mpt_? -76.22 -36.45 58.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.355 1.034 . . . . 0.0 110.259 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -33.35 75.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 109.391 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.48 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 21.4 mt -70.2 -53.61 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.9 t -69.29 -26.67 64.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.8 mm-40 -67.38 -30.12 69.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 110.36 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.602 ' CD1' ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -81.68 -24.5 36.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.68 32.19 2.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.337 1.023 . . . . 0.0 111.034 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.602 ' CE2' ' CD1' ' A' ' 46' ' ' LEU . 11.8 m-30 -119.14 179.0 4.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 110.984 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.4 OUTLIER -122.01 162.47 21.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 p -139.37 138.85 39.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -114.32 144.79 42.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.0 115.82 30.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' CD ' ' NH1' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -121.61 91.79 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.86 -105.33 1.52 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 111.105 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -119.64 -1.49 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.435 ' N ' HD21 ' A' ' 56' ' ' LEU . 6.2 mt -95.22 155.85 16.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.579 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -105.85 133.56 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.361 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.1 mm -117.58 128.05 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.45 145.49 26.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -111.87 95.7 5.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.477 HG22 ' CD2' ' A' ' 99' ' ' PHE . 19.3 pt -119.38 157.04 52.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 133.5 16.59 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.594 1.839 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.466 ' CA ' HG13 ' A' ' 92' ' ' VAL . . . 100.07 -25.65 27.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.467 HG21 ' CG2' ' A' ' 67' ' ' ILE . 3.4 mp -108.47 149.94 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.498 0.763 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.419 ' N ' HG23 ' A' ' 64' ' ' ILE . 24.5 t -90.79 -55.55 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.006 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.437 ' NH1' ' CD ' ' A' ' 53' ' ' GLU . 28.0 mtt180 -156.68 141.76 17.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.467 ' CG2' HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -142.78 153.77 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.393 1.058 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -111.47 135.66 51.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.465 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 2.3 mp -125.14 145.01 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.467 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -141.24 94.99 7.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.559 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.0 Cg_endo -75.11 127.99 11.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.97 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.42 156.6 43.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -56.73 -43.04 80.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -71.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.406 ' C ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -147.45 -173.46 4.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.243 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.476 HG23 ' CG2' ' A' ' 28' ' ' VAL . 4.7 pt -126.07 160.38 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.547 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -141.86 154.44 45.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.426 HG21 ' CD2' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -132.76 147.42 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -133.69 120.61 20.84 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.9 p -91.97 124.55 36.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.376 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.2 -65.59 1.03 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -135.02 149.43 50.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.574 ' CE2' HG23 ' A' ' 92' ' ' VAL . 1.7 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 91' ' ' ALA . 29.9 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.501 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 9.6 pttp -48.14 -31.03 5.12 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 tp -77.05 -32.48 56.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -75.74 -49.24 18.78 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.574 HG23 ' CE2' ' A' ' 83' ' ' TYR . 10.8 m -60.22 -30.02 45.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 2.3 t -51.09 -36.87 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -28.53 69.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.4 m -86.57 -35.17 19.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -60.27 -45.76 92.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.41 -35.92 76.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -55.44 -39.99 70.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 6.9 t80 -64.14 -53.09 55.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.533 HG23 ' CD2' ' A' ' 26' ' ' TYR . 29.4 mm -61.71 -32.7 54.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.5 OUTLIER -55.95 -46.16 78.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -83.67 -22.42 32.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.579 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -72.2 -44.82 62.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.228 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.488 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 46.3 p -96.99 -39.89 9.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.447 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.586 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 93.68 -2.03 69.5 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.448 1.093 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.445 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 4.5 m-85 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.465 0.744 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.2 ttm . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.523 0.201 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.9 128.16 53.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.22 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -91.45 125.47 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.474 ' CE2' HG21 ' A' ' 78' ' ' VAL . 74.8 m-85 -112.25 150.4 42.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 168.53 24.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.57 1.826 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 75' ' ' LYS . 7.3 p -134.63 139.22 48.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -81.73 146.32 30.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.27 127.4 32.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.82 -39.6 2.7 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.543 1.152 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.709 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 2.6 m-85 -47.91 165.5 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.597 0.822 . . . . 0.0 111.019 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 132.25 15.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.425 1.75 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.5 p -135.01 31.0 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.075 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.22 148.71 43.33 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.545 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 12.3 m-85 -52.03 -53.08 46.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.414 ' O ' ' CD ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -63.27 -50.93 68.19 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.383 1.052 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 m -49.42 -52.31 29.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.453 HG21 ' CD2' ' A' ' 103' ' ' LEU . 66.9 mt -69.8 -36.1 68.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.37 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -53.23 -37.17 61.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.414 ' CD ' ' O ' ' A' ' 37' ' ' ASP . 1.8 mpt_? -77.08 -35.8 56.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -38.97 91.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.472 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 14.4 mt -62.18 -51.16 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.53 -35.15 72.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' ARG . 1.4 mt-10 -65.88 -21.13 66.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.612 ' CD2' ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -88.13 -25.05 23.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.337 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.51 26.01 4.11 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.612 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 16.0 m-30 -117.91 179.73 4.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 0.719 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.06 162.23 18.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.7 p -141.47 126.89 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -113.3 144.34 42.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -102.71 110.11 21.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.96 90.21 3.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.48 -109.77 2.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.047 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -115.17 -2.71 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.418 ' N ' HD22 ' A' ' 56' ' ' LEU . 2.3 mt -97.54 160.61 14.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.545 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.3 tt -109.98 137.5 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.441 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 20.6 mm -116.69 131.72 68.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.598 1.186 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.15 144.32 29.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.82 102.21 9.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.057 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.407 HD11 ' CD1' ' A' ' 64' ' ' ILE . 8.2 pt -126.24 153.14 74.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.182 . . . . 0.0 109.176 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 135.19 18.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.66 -24.63 31.42 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.478 1.111 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' A' ' 83' ' ' TYR . 9.9 mt -106.91 160.94 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.503 0.767 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.408 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -95.63 -62.87 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -155.26 140.31 17.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 110.29 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.05 147.42 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.441 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 8.4 mt-10 -104.73 136.01 45.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.474 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -117.1 142.22 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.478 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -139.84 89.15 11.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 134.25 17.48 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.71 150.22 41.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.244 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 13.3 mptt -57.73 -37.28 73.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -68.65 -64.54 0.85 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.646 1.216 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.489 ' CD ' HD13 ' A' ' 77' ' ' LEU . 1.5 pptp? -154.12 -166.08 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.228 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.437 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 2.7 pt -138.91 158.56 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.53 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -148.37 152.11 36.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.36 1.037 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.474 HG21 ' CE2' ' A' ' 26' ' ' TYR . 4.1 t -130.9 149.52 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -124.06 120.64 33.0 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.0 p -109.69 146.07 35.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.444 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.84 -87.93 1.63 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -144.29 106.45 4.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 0.795 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.47 ' CE1' HD11 ' A' ' 64' ' ' ILE . 3.2 m-30 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.456 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . 82.7 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -61.43 -28.49 69.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.385 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' A' ' 93' ' ' VAL . 5.2 tp -76.99 -30.69 56.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.456 ' HB1' ' CB ' ' A' ' 88' ' ' ASP . . . -76.99 -52.15 9.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 89' ' ' LYS . 31.4 m -54.63 -30.08 21.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 4.4 t -50.97 -34.29 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -73.72 -28.57 61.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -85.11 -33.09 22.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -78.69 -32.91 47.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.401 ' ND2' HG11 ' A' ' 93' ' ' VAL . 2.0 m-80 -71.49 -46.35 60.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -53.16 -36.26 60.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.464 ' CE1' HD22 ' A' ' 103' ' ' LEU . 17.5 t80 -65.43 -48.05 74.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 104' ' ' THR . 29.5 mm -69.67 -50.27 51.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 109.25 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 106' ' ' TYR . 21.8 tt0 -48.6 -31.23 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.294 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -85.32 -27.95 25.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.464 HD22 ' CE1' ' A' ' 99' ' ' PHE . 4.0 mp -86.13 -11.41 52.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 100' ' ' ILE . 17.1 p -103.63 -30.09 10.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.496 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.709 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 78.42 5.93 87.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.592 1.182 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.46 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 6.7 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.1 tmm? . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.512 0.196 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.62 151.95 27.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.642 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 25.8 mt-10 -121.23 165.29 15.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.642 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 47.5 m-85 -162.28 143.9 8.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.0 162.29 37.36 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.384 1.728 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.4 p -117.22 139.37 44.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -85.16 144.89 27.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.226 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -67.81 98.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 129.03 -43.45 1.31 Allowed Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.689 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 3.0 m-85 -44.17 160.33 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.423 0.719 . . . . 0.0 111.035 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.415 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.4 Cg_endo -74.96 139.03 23.91 Favored 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.406 1.74 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.8 p -136.57 31.87 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.6 142.97 51.37 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.527 1.142 . . . . 0.0 109.211 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.583 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.9 m-85 -47.49 -54.74 10.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.426 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -59.19 -48.94 79.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.22 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.415 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 35.8 m -53.13 -53.2 54.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.959 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 71' ' ' PRO . 16.5 mt -65.75 -41.44 90.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -46.47 55.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' GLU . 9.7 mpt_? -71.58 -36.49 70.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -64.15 -34.22 77.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.476 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 11.9 mt -68.54 -53.51 27.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.6 t -68.97 -29.2 67.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -63.24 -21.64 66.36 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.565 1.165 . . . . 0.0 110.232 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.616 ' CD1' ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -93.61 -24.49 17.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.21 34.29 1.82 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' A' ' 46' ' ' LEU . 10.6 m-30 -119.75 170.47 9.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.554 0.796 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.1 162.36 14.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.31 133.87 25.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.228 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -111.3 144.55 40.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.6 m -112.23 98.26 7.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.471 ' HG2' ' CG1' ' A' ' 58' ' ' ILE . 5.5 pt-20 -100.34 90.26 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.04 -104.0 2.18 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' C ' HD21 ' A' ' 56' ' ' LEU . 83.1 m-20 -121.95 1.19 9.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 56' ' ' LEU . 4.3 mt -97.53 154.47 17.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.583 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -109.06 139.04 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.471 ' CG1' ' HG2' ' A' ' 53' ' ' GLU . 7.1 mm -122.46 138.2 53.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -102.92 139.88 37.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.22 96.08 6.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 64' ' ' ILE . 15.2 pt -120.81 152.96 56.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.407 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 135.44 19.32 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.464 1.771 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.83 -26.08 25.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.469 HD12 ' CD1' ' A' ' 61' ' ' ILE . 3.7 mp -108.11 148.28 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.776 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.419 ' N ' HG21 ' A' ' 64' ' ' ILE . 21.8 t -82.55 -62.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.071 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -155.0 140.5 17.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.444 ' CG2' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.08 148.41 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 6.8 mt-10 -104.75 137.43 42.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.234 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.479 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -120.1 140.4 44.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -139.91 91.45 10.33 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.571 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -75.01 131.45 14.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.552 1.817 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.64 150.89 49.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -57.19 -42.33 81.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -67.5 -62.64 1.32 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.113 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.493 ' HD2' ' CD1' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -153.2 -166.17 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 104' ' ' THR . 0.8 OUTLIER -140.16 155.78 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.493 ' CD1' ' HD2' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -141.03 155.38 46.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.486 HG23 ' CD2' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -132.96 145.97 33.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -123.31 127.77 49.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.0 p -113.18 143.57 44.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.614 1.196 . . . . 0.0 110.445 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.35 -90.64 1.02 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 110.945 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -143.71 113.53 7.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 0.741 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.479 ' OH ' ' CD1' ' A' ' 96' ' ' TYR . 2.8 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.454 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.494 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 2.4 mttt -50.69 -30.1 12.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.68 -32.64 60.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -68.68 -52.06 35.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.103 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.2 m -62.86 -31.91 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.364 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 2.3 t -53.4 -36.79 27.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -66.79 -29.37 69.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 3.2 m -86.22 -32.57 21.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.479 ' CD1' ' OH ' ' A' ' 83' ' ' TYR . 50.3 t80 -69.01 -43.48 74.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.626 1.204 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -39.32 77.21 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.442 1.088 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -38.38 59.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 10.3 t80 -76.37 -53.43 8.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 104' ' ' THR . 40.1 mm -56.03 -35.57 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.2 mm-40 -54.49 -47.26 73.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.23 -15.85 45.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.079 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.573 ' CD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -82.56 -26.89 31.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.467 HG22 ' CD1' ' A' ' 76' ' ' ILE . 64.8 p -111.14 -47.67 3.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.461 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.689 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 111.51 -27.8 10.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.135 . . . . 0.0 111.078 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 30.2 m-85 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 111.066 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.417 0.151 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.58 131.96 53.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.351 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -117.24 120.92 39.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 0.0 110.365 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.566 ' CD2' HG22 ' A' ' 100' ' ' ILE . 56.8 m-85 -114.67 150.51 44.09 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.185 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 174.37 12.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.474 ' CG2' HG23 ' A' ' 76' ' ' ILE . 3.4 t -126.01 134.3 66.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.192 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.54 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -81.11 145.79 30.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -69.85 104.48 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.265 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 121.62 -45.59 1.2 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.58 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 3.5 m-85 -42.55 159.34 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.34 25.41 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.781 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.1 p -140.61 32.06 1.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.368 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.57 146.99 45.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.234 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.571 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.0 m-85 -51.15 -52.18 46.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -50.41 73.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 m -50.04 -52.8 31.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.95 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.445 HG22 ' CD1' ' A' ' 43' ' ' ILE . 98.3 mt -64.81 -40.89 90.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -51.66 -40.47 60.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.4 mpt_? -75.02 -39.66 61.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.408 1.067 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -33.43 75.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.46 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 20.6 mt -69.04 -53.69 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.4 t -69.54 -25.39 64.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 109.947 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 2.0 mm-40 -73.74 -23.91 59.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.584 HD13 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.88 -22.8 21.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.33 24.91 4.58 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.584 ' CE1' HD13 ' A' ' 46' ' ' LEU . 10.7 m-30 -112.89 177.65 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.386 0.698 . . . . 0.0 111.004 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.28 161.76 21.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 p -140.21 134.04 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -116.09 144.94 43.47 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.552 1.158 . . . . 0.0 109.365 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.8 m -105.54 98.82 8.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.039 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -102.51 90.5 3.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 110.194 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.52 -109.93 2.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.578 1.173 . . . . 0.0 111.01 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -115.31 -3.68 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.791 . . . . 0.0 109.312 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.424 ' N ' HD21 ' A' ' 56' ' ' LEU . 2.3 mt -96.73 158.0 15.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.443 1.09 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.571 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -107.62 139.06 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 27.5 mm -118.18 131.88 69.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.64 144.35 28.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.34 101.48 8.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.564 HG22 ' CD2' ' A' ' 48' ' ' PHE . 7.1 pt -122.54 154.64 63.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 139.46 24.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.98 -25.65 20.73 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.469 HG21 ' CG2' ' A' ' 67' ' ' ILE . 2.4 mp -107.69 145.32 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 0.795 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 64' ' ' ILE . 2.3 m -77.28 -62.47 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.892 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.05 142.13 19.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.429 1.081 . . . . 0.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.469 ' CG2' HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.4 153.35 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 8.0 mt-10 -109.91 137.4 47.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.485 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -121.62 135.82 60.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 1.1 mppt? -134.67 90.12 24.14 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.249 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.514 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -74.97 140.99 26.18 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.26 148.18 37.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.6 mttt -52.37 -36.83 54.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -71.19 -68.83 0.41 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -148.92 -166.75 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.483 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 9.6 pt -135.02 164.25 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.554 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -148.87 153.62 38.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.27 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.86 147.81 31.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -130.99 116.32 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.466 ' CG2' ' CZ ' ' A' ' 96' ' ' TYR . 61.3 p -96.72 152.42 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.77 -113.64 3.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.24 137.35 43.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.568 ' CE2' HG23 ' A' ' 92' ' ' VAL . 4.4 m-30 -105.19 159.28 15.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -68.3 105.16 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.9 m -54.62 -26.02 30.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.9 -30.66 65.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.58 134.01 37.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -53.5 106.28 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -51.18 -27.85 9.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -31.04 58.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -73.79 -52.26 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.568 HG23 ' CE2' ' A' ' 83' ' ' TYR . 26.2 m -58.18 -24.6 24.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.333 1.02 . . . . 0.0 109.221 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.97 -37.28 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.511 ' C ' ' CD ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -64.47 -30.2 71.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.4 1.062 . . . . 0.0 110.346 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 16.3 m -87.45 -30.43 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.426 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.466 ' CZ ' ' CG2' ' A' ' 80' ' ' THR . 57.0 t80 -74.78 -38.55 62.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -72.76 -47.04 50.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 0.0 109.385 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -53.66 -37.58 63.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.514 ' CD2' HD12 ' A' ' 100' ' ' ILE . 13.2 t80 -60.84 -50.83 71.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.585 1.178 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.566 HG22 ' CD2' ' A' ' 26' ' ' TYR . 19.3 mm -72.35 -35.44 52.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -40.45 63.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 110.308 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -84.82 -23.03 29.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.442 ' CD2' HG23 ' A' ' 39' ' ' ILE . 1.5 tp -81.69 -12.86 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.453 HG23 ' CG2' ' A' ' 100' ' ' ILE . 81.1 p -117.41 -41.66 2.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 110.418 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.58 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 104.54 -38.62 3.18 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.437 1.086 . . . . 0.0 111.045 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -59.35 147.63 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.441 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 99.5 p -110.76 163.59 13.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 110.063 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.45 -34.0 73.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -61.95 -26.21 68.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 107' ' ' SER . 0.7 OUTLIER -67.1 -31.65 72.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.243 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.427 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 27.1 mtp180 -49.44 -33.97 15.42 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.55 -42.99 71.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.609 1.193 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -50.1 -39.18 41.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.215 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 9.8 mmt -68.38 -49.56 59.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.056 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -34.99 79.48 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 110.953 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 29.9 m -89.46 95.63 10.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.38 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -88.26 -52.05 5.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.456 ' HG3' ' CB ' ' A' ' 79' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.574 0.226 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -97.56 149.81 21.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 110.279 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -120.5 123.51 43.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.496 ' CD2' HG22 ' A' ' 78' ' ' VAL . 24.6 m-85 -119.14 143.9 35.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.27 29.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.45 129.64 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -73.53 146.66 44.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 109.245 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 2.2 pttt -70.29 117.55 11.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.59 -41.38 2.23 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.429 1.081 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 3.4 m-85 -46.14 165.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.795 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 130.34 13.17 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.765 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.6 p -133.92 28.81 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.404 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.25 142.72 48.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 7.3 m-85 -49.34 -55.26 13.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -47.77 84.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.401 1.063 . . . . 0.0 109.23 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -52.77 31.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' CG2' HD12 ' A' ' 43' ' ' ILE . 9.2 mt -63.61 -41.71 93.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -50.31 -38.74 43.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLU . 10.4 mpt_? -73.54 -41.45 62.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -38.73 92.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.529 ' CG2' ' CB ' ' A' ' 48' ' ' PHE . 20.4 mt -66.13 -55.5 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.5 t -66.06 -24.24 66.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -69.14 -39.49 78.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.611 HD13 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -77.36 -25.19 50.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.67 34.08 1.78 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.611 ' CE1' HD13 ' A' ' 46' ' ' LEU . 6.7 m-30 -115.12 160.7 19.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.85 157.38 17.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.9 p -140.22 134.74 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -115.58 146.71 41.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.7 p -99.97 110.83 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.466 ' HB2' ' CG1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -110.82 93.62 4.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.26 -103.34 0.92 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -118.86 -3.3 10.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.365 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 56' ' ' LEU . 2.2 mt -95.68 159.9 14.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.386 1.054 . . . . 0.0 109.22 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.497 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -106.3 137.64 35.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.214 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.476 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 16.2 mm -116.63 129.54 72.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.378 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.33 137.65 43.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 t -109.18 105.75 15.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.472 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 6.9 pt -122.61 153.89 63.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.23 16.33 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.588 1.836 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.1 -25.27 28.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.472 ' HB ' ' CG1' ' A' ' 61' ' ' ILE . 2.7 mp -107.35 149.69 10.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.495 0.762 . . . . 0.0 109.237 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 64' ' ' ILE . 38.3 t -82.74 -62.28 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 110.041 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -154.99 140.55 17.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.44 HD12 ' CG2' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -141.22 149.64 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.476 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.1 mt-10 -114.16 135.89 53.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 69' ' ' ILE . 2.5 mp -121.12 144.46 30.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.448 1.092 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.457 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.59 90.32 14.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.367 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.57 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.1 Cg_endo -75.03 125.81 9.54 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.2 152.18 43.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -28.75 59.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -62.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.446 ' HE3' ' CD1' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -152.14 -166.0 2.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.499 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -140.96 164.51 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.522 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -147.6 153.78 39.83 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.496 HG22 ' CD2' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -132.96 146.51 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.456 ' CB ' ' HG3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -131.99 125.84 32.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 80.9 p -107.15 142.73 36.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.35 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.53 -83.33 0.8 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -146.18 109.7 4.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.519 ' CE2' HG23 ' A' ' 92' ' ' VAL . 2.3 m-85 -67.57 154.85 40.49 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.536 1.147 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.02 107.25 4.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.6 p -55.2 -40.89 71.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 110.044 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.16 -47.85 71.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.39 132.57 42.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.3 m-20 -52.26 105.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.381 1.051 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -50.74 -27.07 6.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.64 -33.19 60.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 109.373 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -74.06 -51.6 15.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.186 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.519 HG23 ' CE2' ' A' ' 83' ' ' TYR . 29.5 m -60.81 -33.5 55.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 3.3 t -69.29 -38.11 76.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.632 1.207 . . . . 0.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -63.34 -30.81 71.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.3 m -86.06 -30.98 22.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -75.33 -39.34 59.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.16 -46.35 64.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.33 -34.19 70.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -68.09 -42.94 79.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.397 1.06 . . . . 0.0 111.055 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 103' ' ' LEU . 21.0 mm -75.26 -50.39 24.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.47 ' O ' ' CA ' ' A' ' 105' ' ' GLY . 5.9 tt0 -46.97 -32.19 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 -29.16 21.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 100' ' ' ILE . 1.0 OUTLIER -75.0 -35.9 62.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.432 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 2.8 p -100.99 -40.25 7.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.382 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.528 ' HA3' ' CZ ' ' A' ' 32' ' ' PHE . . . 103.6 -34.0 6.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.097 . . . . 0.0 111.014 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -61.07 144.95 52.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -110.09 163.06 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.92 -33.07 70.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 0.0 109.225 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.47 -31.68 72.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 107' ' ' SER . 0.6 OUTLIER -59.9 -32.0 70.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.192 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.467 ' CG ' ' HE3' ' A' ' 114' ' ' MET . 0.4 OUTLIER -49.96 -32.05 14.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -55.97 -44.68 78.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -43.36 -54.27 4.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.467 ' HE3' ' CG ' ' A' ' 111' ' ' ARG . 2.0 ptt? -75.99 -21.36 57.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 111.03 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.422 ' N ' ' HG3' ' A' ' 114' ' ' MET . 0.3 OUTLIER -88.71 7.31 34.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 111.052 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.5 m -96.16 -42.32 8.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.733 ' O ' ' OXT' ' A' ' 118' ' ' ASP . 9.8 ttpt -60.99 -56.8 16.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.733 ' OXT' ' O ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.5 ttm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.489 0.185 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.11 127.43 53.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -90.17 131.82 35.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.625 1.203 . . . . 0.0 110.344 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.513 ' CD2' HG21 ' A' ' 100' ' ' ILE . 29.7 m-85 -114.24 147.57 38.2 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.06 27.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.47 ' CG2' HG21 ' A' ' 76' ' ' ILE . 10.5 t -123.26 135.4 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -75.82 146.82 39.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 5.3 mptt -71.22 105.8 3.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.7 -44.87 1.26 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.364 1.04 . . . . 0.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 104' ' ' THR . 3.6 m-85 -43.18 159.93 0.21 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 142.78 28.39 Favored 'Trans proline' 0 C--N 1.362 1.26 0 O-C-N 124.466 1.772 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.463 ' CG2' HG11 ' A' ' 28' ' ' VAL . 2.7 p -136.57 29.3 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -117.33 148.24 41.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.607 1.192 . . . . 0.0 109.224 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.562 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 5.9 m-85 -52.89 -51.0 62.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -52.91 62.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.6 m -49.77 -52.65 30.28 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.436 1.085 . . . . 0.0 110.123 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 71' ' ' PRO . 40.3 mt -64.56 -40.28 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 14.9 mtpt -51.98 -38.06 55.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 45' ' ' GLU . 2.6 mpt_? -76.58 -38.4 54.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.228 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -30.92 71.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.477 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 38.2 mt -70.72 -54.93 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -67.96 -31.11 70.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.956 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -61.44 -25.19 67.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.605 HD13 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.34 -23.97 22.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.268 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.59 32.05 2.21 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.412 1.07 . . . . 0.0 111.026 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.605 ' CE1' HD13 ' A' ' 46' ' ' LEU . 11.6 m-30 -118.74 176.6 5.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.74 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.58 162.08 18.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.405 ' CG2' ' HG2' ' A' ' 40' ' ' LYS . 1.7 p -138.69 132.1 39.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -112.95 144.31 42.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -107.81 99.26 8.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -102.61 92.1 4.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.28 -110.62 3.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -115.94 -4.3 12.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 109.352 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.422 ' N ' HD22 ' A' ' 56' ' ' LEU . 2.3 mt -95.14 159.71 14.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.562 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -107.81 138.46 34.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 26.7 mm -119.09 137.52 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.84 144.74 31.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.48 100.37 8.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.436 HG23 ' CD2' ' A' ' 48' ' ' PHE . 13.7 pt -122.84 152.66 62.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 137.01 21.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.556 1.819 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.54 -25.37 28.52 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.095 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 65' ' ' SER . 1.2 mp -107.43 161.78 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.368 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.47 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 26.3 t -94.23 -62.4 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.2 136.77 14.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.32 151.48 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.8 mt-10 -109.04 137.16 47.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.484 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -119.76 135.06 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 1.5 mppt? -131.74 89.28 39.84 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.467 ' HB3' ' CD1' ' A' ' 39' ' ' ILE . 18.4 Cg_endo -75.05 134.17 17.4 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.22 150.91 43.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -57.52 -42.64 83.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -66.38 0.56 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.45 178.85 9.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.334 1.022 . . . . 0.0 109.4 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.501 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 4.8 pt -126.37 160.09 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.53 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -145.64 154.03 41.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 1.144 . . . . 0.0 109.214 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.508 HG22 ' CD2' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -133.22 148.18 31.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.455 1.097 . . . . 0.0 109.195 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -136.89 127.37 26.74 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.5 p -96.33 161.49 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.25 -70.92 0.68 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.451 1.094 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -137.2 136.04 37.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.805 . . . . 0.0 109.26 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.464 ' CE2' HG23 ' A' ' 92' ' ' VAL . 1.4 m-85 -108.5 159.11 16.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 111.087 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -82.27 96.44 7.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -56.37 -38.77 71.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.69 -36.11 73.69 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -83.31 146.32 28.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.445 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 8.3 m-20 -56.06 105.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.469 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -51.6 -29.4 17.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.571 1.169 . . . . 0.0 109.358 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -77.2 -30.05 54.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -72.98 -52.73 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 89' ' ' LYS . 6.2 m -59.7 -37.59 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.24 -37.36 78.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.47 1.107 . . . . 0.0 109.265 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 90' ' ' LEU . 2.3 mmt180 -65.52 -31.17 72.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -86.23 -32.7 21.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -72.02 -35.39 69.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.4 1.063 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -37.97 46.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -55.38 -37.69 67.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.7 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 6.7 t80 -63.53 -53.05 58.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.513 HG21 ' CD2' ' A' ' 26' ' ' TYR . 26.1 mm -60.23 -32.18 50.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.511 ' O ' ' CA ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -55.54 -43.33 75.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.208 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -22.43 22.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.222 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.7 ' CD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -71.72 -41.63 68.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.596 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 66.7 p -105.7 -35.99 7.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.397 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 101' ' ' GLU . . . 109.87 -34.8 5.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.59 1.181 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -64.46 146.26 54.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -108.35 166.56 10.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.049 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.34 73.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -25.85 68.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 111' ' ' ARG . 0.4 OUTLIER -67.86 -30.72 70.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.429 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -48.31 -30.36 4.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.34 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 116' ' ' THR . 0.0 OUTLIER -51.33 -37.91 50.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.712 ' CE ' ' OXT' ' A' ' 118' ' ' ASP . 0.0 OUTLIER -57.85 -17.59 17.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -83.63 -57.93 3.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.412 1.07 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 5.2 ptp -75.87 -12.51 60.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 112' ' ' LYS . 45.0 m -137.47 104.94 5.5 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.522 1.139 . . . . 0.0 110.401 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.69 133.22 46.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.712 ' OXT' ' CE ' ' A' ' 113' ' ' LYS . 6.9 t70 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 78' ' ' VAL . 21.0 ttm . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.536 0.208 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.0 137.99 47.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.424 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 1.9 mt-10 -100.73 132.71 45.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.506 ' CD2' HG21 ' A' ' 100' ' ' ILE . 57.8 m-85 -125.35 146.81 55.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.527 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.5 Cg_endo -74.9 -170.1 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.554 1.818 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.467 ' CG2' HG22 ' A' ' 34' ' ' THR . 14.7 p -145.0 118.9 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.217 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -64.42 145.72 55.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -69.74 105.98 2.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.34 -43.53 1.46 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.588 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 3.1 m-85 -44.33 161.26 0.22 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.451 0.736 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.449 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.5 Cg_endo -74.99 127.01 10.34 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.506 1.793 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.467 HG22 ' CG2' ' A' ' 28' ' ' VAL . 6.4 p -132.89 31.88 3.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.53 152.15 42.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.22 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' LYS . 7.2 m-85 -52.24 -55.58 20.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.43 ' CG ' ' N ' ' A' ' 38' ' ' SER . 6.6 p-10 -61.12 -50.44 73.21 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 5.0 m -49.82 -52.84 29.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.418 HG21 ' CD2' ' A' ' 103' ' ' LEU . 68.4 mt -69.76 -33.71 57.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' TYR . 3.1 tttm -56.81 -38.79 73.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -74.6 -32.86 62.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -64.77 -47.35 78.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.435 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 31.6 mt -53.36 -53.28 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -67.79 -43.77 78.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.93 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -24.52 58.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.581 HD11 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -88.64 -25.66 22.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.25 21.94 5.71 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.581 ' CE1' HD11 ' A' ' 46' ' ' LEU . 12.4 m-30 -112.79 175.2 5.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' CB ' ' HB3' ' A' ' 60' ' ' SER . 0.3 OUTLIER -114.91 156.54 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 p -139.0 130.07 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -112.82 144.48 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -99.13 97.94 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.123 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.06 95.05 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.263 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.21 -103.15 0.81 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.448 1.093 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -119.52 -1.92 10.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 56' ' ' LEU . 2.3 mt -96.27 164.32 12.71 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -109.67 140.67 27.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.453 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 32.4 mm -123.18 131.61 72.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.29 134.22 47.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 49' ' ' ASP . 8.1 t -108.74 104.39 13.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.946 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.532 HG22 ' CD2' ' A' ' 48' ' ' PHE . 9.0 pt -124.38 153.05 68.99 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.519 1.137 . . . . 0.0 109.37 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 133.03 16.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.45 1.763 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.06 -24.6 31.34 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 111.066 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.456 ' HB ' ' CG1' ' A' ' 61' ' ' ILE . 2.3 mp -106.78 152.54 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.593 0.819 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 -62.62 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -155.29 138.43 15.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.433 ' CG2' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.5 148.8 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.214 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 8.7 mt-10 -110.19 144.7 38.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.427 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -126.15 123.44 63.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.51 ' CB ' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -116.47 89.32 26.78 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.67 9.5 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.464 1.77 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 0.6 OUTLIER -130.99 145.32 52.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -55.09 -43.29 73.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.085 . . . . 0.0 109.224 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HB3' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -64.27 -62.83 1.36 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' CD ' ' HB3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -153.48 -173.01 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.427 ' CD1' HG22 ' A' ' 104' ' ' THR . 3.6 pt -130.99 158.18 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.543 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -141.05 155.05 46.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.44 ' O ' ' CG ' ' A' ' 23' ' ' MET . 4.2 m -127.07 138.34 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.362 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -130.94 117.81 19.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.1 p -111.48 175.11 5.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -118.99 -87.1 1.09 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -140.36 135.17 31.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.61 ' OH ' ' CD1' ' A' ' 96' ' ' TYR . 3.4 m-85 -93.54 159.25 15.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -68.41 105.71 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.83 -37.43 66.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -55.58 -53.89 50.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.57 154.86 41.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -72.86 98.52 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.454 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -54.16 -29.89 47.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.414 ' N ' ' HG2' ' A' ' 89' ' ' LYS . 3.1 tp -74.7 -32.47 62.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.92 -51.61 13.35 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.454 ' CG2' ' HA ' ' A' ' 89' ' ' LYS . 21.7 m -61.19 -38.3 79.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 1.6 t -51.57 -34.33 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.491 ' C ' ' CD ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -67.42 -30.24 69.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.445 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 2.1 m -86.83 -36.24 18.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.61 ' CD1' ' OH ' ' A' ' 83' ' ' TYR . 29.0 t80 -70.79 -32.22 69.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -77.1 -37.66 53.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -66.0 -37.23 85.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 99' ' ' PHE . 6.1 t80 -62.03 -41.18 97.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.506 HG21 ' CD2' ' A' ' 26' ' ' TYR . 9.6 mm -77.04 -46.74 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -48.53 -32.89 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.193 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.43 -26.95 27.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 100' ' ' ILE . 4.2 mp -83.22 -16.45 46.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 100' ' ' ILE . 82.3 p -110.2 -44.18 3.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.588 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 80.4 5.1 89.98 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.544 1.153 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.527 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 7.9 m-85 -101.98 125.73 48.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.741 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.19 157.43 20.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.984 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.25 -23.79 57.22 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -50.7 50.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.369 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.504 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 15.4 pt-20 -78.46 -30.96 47.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -46.72 57.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -44.62 82.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 31.7 mttt -44.07 -33.46 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.381 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 33.0 mmt -59.52 -57.61 12.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 111.058 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 7.7 ptm -78.65 -19.89 51.55 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.418 1.074 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 53.6 m -109.32 91.55 3.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.706 ' O ' ' OXT' ' A' ' 118' ' ' ASP . 22.4 mttp -57.54 161.73 3.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.706 ' OXT' ' O ' ' A' ' 117' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.252 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 78' ' ' VAL . 30.5 ttm . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.528 0.204 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.13 141.62 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.59 132.42 51.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.47 ' HB3' ' CG2' ' A' ' 104' ' ' THR . 70.6 m-85 -124.28 141.85 38.5 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 178.46 7.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.3 p -130.21 139.38 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.595 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -86.99 145.79 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 16.6 tttt -66.84 108.74 2.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.46 -48.18 0.97 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.487 1.117 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 3.7 m-85 -40.39 160.46 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 127.2 10.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.801 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.1 p -128.29 22.33 6.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.54 143.8 41.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.563 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 10.8 m-85 -52.85 -53.41 49.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -46.83 88.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.6 m -52.52 -52.91 52.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.342 1.026 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.46 HG22 ' CD2' ' A' ' 103' ' ' LEU . 50.7 mt -63.83 -37.92 80.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HG2' ' CG1' ' A' ' 50' ' ' VAL . 1.5 mtmm -51.8 -39.63 59.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.484 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.1 mpt_? -76.76 -35.44 57.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -64.14 -36.62 84.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.51 ' CG2' ' CB ' ' A' ' 48' ' ' PHE . 28.0 mt -66.88 -54.97 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -67.24 -27.21 67.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.1 mm-40 -67.71 -27.3 66.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.572 1.17 . . . . 0.0 110.4 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.596 HD12 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -90.16 -22.53 21.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.55 27.23 3.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.596 ' CE1' HD12 ' A' ' 46' ' ' LEU . 8.6 m-30 -112.12 170.64 8.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.81 157.87 21.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 1.188 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.446 ' CG1' ' HG2' ' A' ' 40' ' ' LYS . 2.3 p -144.27 135.52 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 109.31 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -115.44 143.54 45.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.7 p -97.31 106.43 18.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.06 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.89 116.42 30.6 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 48.46 -108.77 0.42 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.587 1.18 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.35 -0.21 12.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 56' ' ' LEU . 2.4 mt -97.69 158.98 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.563 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -107.11 138.21 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 39.0 mm -116.9 129.08 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 109.372 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.11 142.23 37.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.16 113.85 22.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.473 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 6.6 pt -130.39 158.5 74.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 130.41 13.26 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.806 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.29 -26.12 25.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.502 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 22.0 mt -107.91 143.87 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.731 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 64' ' ' ILE . 24.8 t -77.06 -61.46 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.07 144.2 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.457 HG22 ' CG2' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -137.67 153.29 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.463 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.9 mt-10 -119.2 137.3 53.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.6 mp -136.78 141.36 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -132.97 99.65 14.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.547 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -75.06 128.54 11.51 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.482 1.78 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.7 154.22 47.37 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.56 1.162 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -58.54 -39.76 81.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -68.27 -67.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 110.326 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.96 -175.31 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.385 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.455 HD12 ' CG2' ' A' ' 104' ' ' THR . 1.1 pt -127.02 152.31 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.548 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -132.46 154.81 49.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.578 1.173 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.467 ' O ' ' CG ' ' A' ' 23' ' ' MET . 10.3 m -125.36 141.66 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -132.8 112.62 12.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.3 p -104.78 142.15 35.22 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.151 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -79.71 -85.85 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.57 1.169 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.14 112.62 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.502 ' CZ ' HD12 ' A' ' 64' ' ' ILE . 2.6 m-30 -66.28 155.3 37.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.28 110.82 8.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.43 -40.64 78.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -40.34 75.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.09 139.21 39.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ALA . 12.1 m-20 -58.14 105.17 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.478 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 5.6 mttt -49.56 -28.46 5.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.467 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.3 OUTLIER -76.22 -35.24 59.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -71.68 -52.1 19.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.494 HG23 ' CE2' ' A' ' 83' ' ' TYR . 33.0 m -57.59 -44.51 85.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.379 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.69 -36.81 77.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.408 1.068 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -62.89 -36.06 82.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -85.94 -39.69 16.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.44 ' CE2' HG13 ' A' ' 100' ' ' ILE . 60.0 t80 -62.13 -31.54 72.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 0.8 OUTLIER -70.23 -38.79 75.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.22 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -62.08 -39.72 93.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.333 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.503 ' CE1' HD22 ' A' ' 103' ' ' LEU . 21.5 t80 -67.91 -52.04 40.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 104' ' ' THR . 20.3 mm -65.23 -51.14 68.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 97' ' ' ASN . 45.9 tt0 -48.03 -32.72 6.99 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -83.03 -29.26 29.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.503 HD22 ' CE1' ' A' ' 99' ' ' PHE . 2.3 mp -81.74 -17.29 48.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 26' ' ' TYR . 21.2 p -107.23 -42.29 4.89 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.583 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 90.06 -28.98 6.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.523 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 10.0 m-85 -75.14 125.2 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.19 169.28 12.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.65 -22.85 66.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -69.82 -50.16 45.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.404 ' CD ' ' HA ' ' A' ' 106' ' ' TYR . 13.0 pt-20 -80.74 -32.35 35.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.41 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -51.4 -46.54 62.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.403 ' HG3' ' CE ' ' A' ' 115' ' ' MET . 0.2 OUTLIER -68.1 -22.8 64.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.667 ' HG2' ' OXT' ' A' ' 118' ' ' ASP . 15.9 mttm -78.05 -38.08 45.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.458 ' CE ' ' HB3' ' A' ' 27' ' ' PRO . 0.7 OUTLIER -71.19 -23.54 62.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.081 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.488 ' CG ' ' N ' ' A' ' 116' ' ' THR . 5.4 ptt? -98.54 -40.83 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.488 ' N ' ' CG ' ' A' ' 115' ' ' MET . 58.2 m -134.35 128.34 33.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.46 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.39 162.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.667 ' OXT' ' HG2' ' A' ' 113' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.6 ttp . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.572 0.225 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -96.83 154.19 17.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 2.1 mt-10 -119.53 134.56 55.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.571 ' CD2' HG21 ' A' ' 100' ' ' ILE . 25.0 m-85 -124.95 143.61 44.49 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.535 ' HG2' ' CD2' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.02 172.12 16.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.77 . . . . 0.0 111.06 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -120.61 117.88 54.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.346 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -65.17 145.06 56.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -63.97 104.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.73 -45.06 1.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 3.5 m-85 -44.67 160.25 0.24 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.76 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 128.11 11.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.5 t -134.93 30.2 3.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.466 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 0.4 OUTLIER -123.85 150.23 44.82 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.466 1.104 . . . . 0.0 109.382 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.538 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 13.8 m-85 -52.47 -55.35 22.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -64.26 -51.54 63.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.459 ' HB2' ' CB ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -50.08 -49.26 52.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 35' ' ' ASP . 9.2 mt -64.53 -42.23 94.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HD3' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -51.22 -49.06 61.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.3 mpt_? -55.64 -43.56 76.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -62.85 -45.88 90.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.399 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.501 HG22 ' CG1' ' A' ' 50' ' ' VAL . 9.0 mt -60.21 -54.17 38.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.142 . . . . 0.0 109.22 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.8 t -67.12 -24.15 65.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -71.88 -41.74 67.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.619 ' CD1' ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -77.3 -16.84 58.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.39 34.46 5.82 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.619 ' CE1' ' CD1' ' A' ' 46' ' ' LEU . 2.4 m-30 -104.47 142.88 33.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 0.808 . . . . 0.0 111.064 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 60' ' ' SER . 0.3 OUTLIER -77.67 147.15 35.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.391 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.501 ' CG1' HG22 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -148.97 140.24 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.247 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.17 146.3 49.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -110.32 104.22 12.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.93 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -123.87 121.49 35.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.83 -119.52 11.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.594 1.184 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -120.53 -3.22 9.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.576 0.809 . . . . 0.0 109.215 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 56' ' ' LEU . 2.7 mt -95.52 158.32 15.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.527 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -108.36 141.06 24.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 0.0 109.354 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.456 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 18.4 mm -119.46 127.1 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.624 1.203 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -111.07 135.23 51.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.087 . . . . 0.0 109.364 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.474 ' HB3' ' CB ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -112.1 120.21 41.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.556 HG23 ' CD2' ' A' ' 48' ' ' PHE . 6.5 pt -128.02 159.96 64.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 128.98 11.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.0 -24.99 29.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.494 ' CD1' ' OH ' ' A' ' 83' ' ' TYR . 30.2 mt -107.09 147.66 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.414 ' N ' HG23 ' A' ' 64' ' ' ILE . 3.0 m -78.75 -62.46 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.23 143.11 19.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.76 146.79 25.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 5.3 mt-10 -110.45 137.16 48.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.426 HD12 ' N ' ' A' ' 69' ' ' ILE . 2.3 mp -122.47 144.83 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -138.65 89.38 13.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.234 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.538 ' HG2' ' CD1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -75.09 128.2 11.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.66 153.76 48.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -54.28 -40.13 67.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -69.45 -68.96 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.13 -177.58 6.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.602 1.189 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.5 pt -127.25 153.79 36.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.402 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.11 154.26 50.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.518 HG22 ' CD2' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -132.9 147.33 31.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.355 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -126.66 123.98 38.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.4 p -100.01 148.91 24.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.411 1.07 . . . . 0.0 110.433 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.65 -108.37 1.95 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.562 1.164 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -128.38 117.46 21.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 0.0 109.392 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.494 ' OH ' ' CD1' ' A' ' 64' ' ' ILE . 3.2 m-85 -76.97 156.64 31.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 87' ' ' ALA . 33.6 t0 -66.73 98.98 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.8 m -50.87 -29.56 12.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.032 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -67.48 -32.94 74.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 84' ' ' ASP . . . -95.93 141.88 28.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.379 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.451 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 31.9 m-20 -57.0 105.48 0.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.591 1.182 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 4.0 pttt -56.52 -28.86 61.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 mp -75.67 -35.84 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -61.95 -51.65 67.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.03 -35.42 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 2.7 t -51.62 -32.12 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.378 1.049 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -29.13 66.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.235 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -86.09 -40.06 16.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -65.12 -35.13 80.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 2.4 m-80 -74.46 -34.54 63.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.355 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -63.87 -32.31 73.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.551 ' CD2' HD11 ' A' ' 100' ' ' ILE . 31.2 t80 -75.22 -52.11 11.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.571 HG21 ' CD2' ' A' ' 26' ' ' TYR . 22.1 mm -67.15 -45.88 85.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 97' ' ' ASN . 3.0 tm-20 -50.13 -32.45 15.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -23.99 22.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.398 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.94 -22.54 36.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 100' ' ' ILE . 65.3 p -114.12 -46.45 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.367 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 100.09 -32.04 7.76 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.609 1.193 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.535 ' CD2' ' HG2' ' A' ' 27' ' ' PRO . 51.5 m-85 -77.02 128.74 35.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.971 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.477 ' O ' ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -101.17 -176.5 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.969 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.02 -22.18 61.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.7 -52.7 34.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.495 ' CD ' ' N ' ' A' ' 111' ' ' ARG . 2.6 pp20? -66.12 -30.44 70.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -50.51 -38.57 45.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -51.25 -30.82 18.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -51.25 -43.41 61.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 0.6 OUTLIER -67.55 -14.7 63.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -97.28 -37.1 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.425 HG22 ' OXT' ' A' ' 118' ' ' ASP . 15.2 t -148.62 123.95 10.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 110.392 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -74.19 -46.47 41.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.425 ' OXT' HG22 ' A' ' 116' ' ' THR . 31.2 t70 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.9 ttm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.449 0.166 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -108.2 143.91 36.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 1.7 mt-10 -97.51 134.42 40.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.369 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.559 ' CD2' HG22 ' A' ' 78' ' ' VAL . 22.1 m-85 -113.21 146.67 35.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 110.947 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 165.89 30.4 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.479 1.778 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.488 ' CG2' HG21 ' A' ' 76' ' ' ILE . 2.5 t -119.27 139.65 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.563 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -84.1 144.94 28.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -72.03 110.58 6.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.58 -35.74 3.75 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.54 1.15 . . . . 0.0 111.045 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 4.5 m-85 -55.71 159.01 5.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.24 28.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.5 p -136.01 27.79 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.98 143.13 45.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.55 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 9.7 m-85 -51.18 -55.36 18.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.67 -49.1 73.84 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.05 -50.75 58.02 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.508 1.13 . . . . 0.0 110.069 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.463 HG22 ' CD2' ' A' ' 103' ' ' LEU . 11.6 mt -65.96 -39.89 85.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 14.3 mtpt -52.89 -40.92 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.7 mpt_? -75.0 -32.75 61.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.439 ' HG2' ' CD1' ' A' ' 103' ' ' LEU . 0.2 OUTLIER -66.29 -39.31 89.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.473 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 31.9 mt -64.83 -52.46 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.8 t -67.91 -32.25 72.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.048 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.4 mm-40 -61.82 -24.4 66.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.601 HD11 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -91.83 -24.47 19.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.351 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.84 31.18 2.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.452 1.095 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.601 ' CE1' HD11 ' A' ' 46' ' ' LEU . 12.4 m-30 -119.1 174.93 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.975 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.46 161.52 17.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.178 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.409 ' CG2' ' HG2' ' A' ' 40' ' ' LYS . 1.4 p -135.37 127.26 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -112.09 144.33 41.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 m -111.07 116.54 31.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.86 93.86 4.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.563 1.165 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.3 -107.65 2.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -121.52 -0.04 9.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.244 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 56' ' ' LEU . 2.4 mt -97.47 158.82 15.28 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.55 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.2 tt -106.38 138.76 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.364 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 11.1 mm -117.75 142.62 31.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.57 1.168 . . . . 0.0 109.259 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.71 142.93 46.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.72 108.57 18.49 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.563 HG23 ' CD2' ' A' ' 48' ' ' PHE . 8.9 pt -132.29 152.27 79.8 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 136.01 19.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.584 1.834 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.53 -25.66 27.01 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.563 1.164 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.553 HG12 ' CE1' ' A' ' 83' ' ' TYR . 18.9 mt -107.62 141.86 21.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.443 ' N ' HG21 ' A' ' 64' ' ' ILE . 16.1 t -76.75 -62.66 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -155.1 139.97 17.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.449 HG22 ' CG2' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -136.32 151.44 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 4.1 mt-10 -116.23 135.74 53.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.469 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 2.5 mp -121.71 144.72 29.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -138.29 93.48 11.44 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.444 ' HG2' ' CD1' ' A' ' 36' ' ' TYR . 18.4 Cg_endo -74.93 126.68 10.17 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.83 150.76 52.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -55.59 -39.96 71.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -68.31 -68.91 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.248 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.85 -173.27 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.374 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.494 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 4.8 pt -130.8 163.33 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.547 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -148.93 153.36 37.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.559 HG22 ' CD2' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -133.01 147.2 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -126.49 118.26 24.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.1 p -102.57 139.87 37.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.95 -99.62 0.75 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -129.07 146.34 51.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 109.357 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.553 ' CE1' HG12 ' A' ' 64' ' ' ILE . 3.8 m-30 -104.29 156.78 17.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.33 112.65 9.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 p -54.64 -30.19 54.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.059 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.34 -50.83 66.24 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.63 147.66 48.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.435 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 48.1 m-20 -70.02 101.19 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -50.76 -28.8 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.06 -36.43 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.184 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -74.86 -51.63 13.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.522 HG23 ' CE2' ' A' ' 83' ' ' TYR . 2.5 m -56.47 -27.91 25.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.7 t -72.03 -36.41 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.244 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.462 ' C ' ' CD ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -64.41 -27.8 69.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 2.5 m -86.8 -34.55 19.52 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.462 ' CD1' ' CD1' ' A' ' 64' ' ' ILE . 44.1 t80 -73.79 -35.04 64.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -41.72 70.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.0 -32.66 74.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 99' ' ' PHE . 2.9 t80 -67.05 -45.95 75.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 104' ' ' THR . 10.1 mm -78.04 -36.04 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.466 ' O ' ' CA ' ' A' ' 105' ' ' GLY . 22.5 tt0 -56.0 -34.05 65.44 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.418 1.074 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -90.48 -15.15 31.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.382 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.463 ' CD2' HG22 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -88.82 -27.31 21.17 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.457 HG21 ' CD1' ' A' ' 76' ' ' ILE . 22.0 p -115.55 -32.21 5.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.428 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 101' ' ' GLU . . . 97.51 -37.3 3.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.583 1.177 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -63.03 145.31 55.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 0.756 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.418 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 52.7 p -110.22 167.56 10.1 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.5 -35.89 80.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -26.41 66.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 111' ' ' ARG . 0.5 OUTLIER -69.69 -31.84 70.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.167 . . . . 0.0 110.206 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 114' ' ' MET . 2.2 ttm-85 -50.0 -33.46 18.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -45.22 82.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.227 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -48.93 -49.8 38.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 5.4 ptm -73.5 -16.05 61.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -55.37 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -144.67 107.34 4.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.738 ' O ' ' OXT' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -82.0 -58.81 2.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.738 ' OXT' ' O ' ' A' ' 117' ' ' LYS . 4.0 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -119.59 125.31 48.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -98.37 123.9 42.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -115.4 146.25 36.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.48 14.43 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.619 1.852 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.459 ' CG2' HG21 ' A' ' 76' ' ' ILE . 4.0 t -125.7 135.41 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.552 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -81.84 147.07 29.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 10.9 mtpt -70.55 106.35 3.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.05 -47.19 1.05 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 104' ' ' THR . 3.8 m-85 -40.77 159.97 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.803 . . . . 0.0 111.069 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 137.03 21.16 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.453 1.765 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 p -137.25 32.38 2.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.396 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.03 148.98 44.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.633 1.208 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.559 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 7.3 m-85 -55.6 -54.23 46.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -51.68 68.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.98 -52.86 30.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.055 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.443 HG23 ' CD1' ' A' ' 43' ' ' ILE . 50.8 mt -64.14 -38.58 82.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -56.07 -40.82 74.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.472 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.9 mpt_? -74.88 -38.81 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -36.9 85.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.462 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 22.4 mt -66.26 -50.86 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 t -71.3 -24.74 62.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.8 mm-40 -77.65 -23.39 49.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.348 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.585 HD13 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.13 -23.53 22.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.59 23.46 5.06 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.585 ' CE1' HD13 ' A' ' 46' ' ' LEU . 10.5 m-30 -112.11 171.95 7.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 0.779 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 60' ' ' SER . 0.2 OUTLIER -114.55 161.77 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 p -141.83 130.48 22.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -114.05 144.59 42.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.612 1.195 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.2 p -101.99 99.99 10.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.79 90.83 3.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.75 -110.8 3.14 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -114.67 -4.45 12.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 0.72 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.414 HD23 ' N ' ' A' ' 56' ' ' LEU . 2.2 mt -95.39 160.53 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.536 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.2 tt -108.38 140.3 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 12.7 mm -117.31 130.97 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.48 141.04 36.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.465 ' HB2' ' CB ' ' A' ' 49' ' ' ASP . 2.7 m -112.34 103.91 12.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.047 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.531 HG23 ' CD2' ' A' ' 48' ' ' PHE . 8.0 pt -121.51 154.56 59.66 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.81 20.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.426 1.75 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.55 -25.42 26.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.578 1.174 . . . . 0.0 111.029 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.457 HG23 ' CG2' ' A' ' 67' ' ' ILE . 2.3 mp -107.44 150.64 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.394 0.702 . . . . 0.0 109.355 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 64' ' ' ILE . 15.9 m -81.96 -62.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -155.24 141.89 18.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.457 ' CG2' HG23 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.69 150.4 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.8 mt-10 -107.79 137.28 46.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.477 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -118.48 140.74 40.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.459 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -135.24 88.29 26.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.559 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.4 Cg_endo -74.96 127.5 10.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.58 1.831 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -131.34 149.41 52.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 109.273 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -56.96 -35.27 68.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.68 -63.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.259 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 1.0 OUTLIER -153.78 178.28 10.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.187 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.459 HG21 ' CG2' ' A' ' 28' ' ' VAL . 4.2 pt -126.25 158.53 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -144.78 154.1 42.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 t -132.74 149.53 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.393 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -133.52 130.2 38.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.4 p -110.48 163.97 13.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -110.82 -76.06 0.83 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -146.14 138.93 25.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.43 ' HB3' ' CG ' ' A' ' 89' ' ' LYS . 2.9 m-85 -98.56 159.28 15.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 1.183 . . . . 0.0 110.967 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.57 107.21 4.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.551 1.157 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.5 -42.71 71.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.947 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.19 -48.07 77.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.41 130.88 38.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.374 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.442 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -56.24 101.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.509 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -52.82 -28.66 23.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.202 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.62 -32.28 69.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.442 ' HB2' ' CB ' ' A' ' 88' ' ' ASP . . . -75.11 -50.17 17.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.6 m -63.41 -26.69 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 2.3 t -62.89 -37.65 79.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 95' ' ' THR . 1.6 ppt_? -68.62 -25.02 64.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.469 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 2.9 m -86.43 -31.78 21.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -74.46 -43.07 57.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.403 1.065 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.9 -39.74 87.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -36.7 84.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 109.366 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CD2' HD11 ' A' ' 100' ' ' ILE . 15.7 t80 -65.29 -51.52 60.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.573 HD11 ' CD2' ' A' ' 99' ' ' PHE . 46.7 mm -70.46 -39.35 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 105' ' ' GLY . 34.8 tt0 -55.13 -35.07 64.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.03 -25.15 23.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 mp -80.61 -18.99 46.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.579 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 74.6 p -115.14 -46.74 2.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.57 ' HA3' ' CZ ' ' A' ' 32' ' ' PHE . . . 107.27 -36.06 4.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.574 1.171 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -62.31 143.63 56.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 111.071 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.471 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -111.53 168.02 9.87 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.134 . . . . 0.0 110.05 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.68 72.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.1 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -31.98 72.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 107' ' ' SER . 0.6 OUTLIER -55.32 -31.44 61.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.16 . . . . 0.0 110.314 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.431 ' CG ' ' HE3' ' A' ' 114' ' ' MET . 0.6 OUTLIER -49.4 -26.38 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.363 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -73.5 -62.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.87 -57.42 2.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' A' ' 115' ' ' MET . 0.0 OUTLIER -59.77 -34.3 72.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.451 ' N ' ' SD ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -66.54 -50.64 62.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.0 p -134.45 116.23 14.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -62.5 -47.18 85.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 109.393 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 109.354 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.9 ttp . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.454 0.169 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.7 148.13 30.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -108.41 128.55 54.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.573 ' CD2' HG22 ' A' ' 100' ' ' ILE . 31.2 m-85 -118.46 144.89 36.12 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.454 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 167.04 27.93 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -117.66 144.18 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -90.0 145.72 24.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -66.77 99.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.372 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.42 -39.32 2.32 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.582 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 2.1 m-85 -50.34 161.65 0.59 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 128.51 11.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 t -138.38 30.93 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.03 147.55 50.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 9.9 m-85 -48.0 -53.79 15.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -60.95 -51.62 68.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -52.8 37.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.87 -36.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -56.27 -40.38 74.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.239 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.4 mpt_? -76.9 -35.71 57.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -35.26 79.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.457 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 21.0 mt -65.46 -52.42 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 t -70.51 -34.94 72.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.7 mm-40 -63.6 -25.01 68.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.618 ' CD1' ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -86.39 -26.03 24.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.72 29.16 2.96 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.609 1.193 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.618 ' CE2' ' CD1' ' A' ' 46' ' ' LEU . 14.7 m-30 -119.76 176.17 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.806 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.89 162.19 18.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 p -139.9 133.73 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.067 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -110.75 143.73 40.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.0 p -104.22 102.54 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.946 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.57 96.17 6.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.398 1.061 . . . . 0.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.09 -108.31 2.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -117.27 -1.62 11.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 56' ' ' LEU . 2.7 mt -96.41 154.64 17.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.557 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.5 tt -106.64 138.09 34.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 36.9 mm -117.69 136.81 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.47 139.12 39.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.32 96.28 6.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.074 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.8 pt -121.81 153.03 60.03 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 136.3 20.23 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.523 1.802 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.475 ' CA ' HG12 ' A' ' 92' ' ' VAL . . . 99.54 -25.14 29.41 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 65' ' ' SER . 4.3 mt -107.02 162.25 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.41 0.712 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.439 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 31.7 t -96.54 -62.51 1.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.33 135.49 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 110.218 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.56 148.55 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.472 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 5.3 mt-10 -108.38 136.57 47.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -119.37 138.52 49.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.482 ' CB ' ' CD2' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -133.05 88.46 36.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.57 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -74.9 132.57 15.71 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.17 148.71 46.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -55.57 -43.26 75.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -64.31 0.9 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.475 ' CD ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -150.53 -166.49 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.0 pt -141.04 155.21 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.536 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -140.21 153.48 46.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.401 1.063 . . . . 0.0 109.284 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.508 HG21 ' CD2' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -133.2 147.2 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.437 ' OD1' ' CB ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -134.89 127.77 31.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.5 p -97.53 145.92 25.77 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.457 1.098 . . . . 0.0 110.376 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -100.2 -100.02 2.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -115.82 113.73 23.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.594 0.82 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.535 ' CE2' HG22 ' A' ' 92' ' ' VAL . 1.4 m-85 -73.99 160.82 30.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.457 ' HB3' ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -44.59 169.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.6 m -99.57 -63.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.26 52.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 84' ' ' ASP . . . -128.72 136.49 50.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 91' ' ' ALA . 8.7 m-20 -56.27 102.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.91 -29.07 7.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.03 -34.8 59.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -73.08 -51.12 19.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.535 HG22 ' CE2' ' A' ' 83' ' ' TYR . 4.9 m -59.16 -33.37 50.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.413 ' O ' ' CG ' ' A' ' 97' ' ' ASN . 2.9 t -72.7 -44.71 59.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -63.16 -27.35 69.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.453 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 16.7 m -86.66 -26.51 24.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.375 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -78.49 -34.55 47.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 93' ' ' VAL . 4.5 m120 -73.01 -41.43 64.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.185 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.64 -37.83 82.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.43 ' CD2' HD13 ' A' ' 100' ' ' ILE . 39.6 t80 -67.12 -48.04 69.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.573 HG22 ' CD2' ' A' ' 26' ' ' TYR . 50.0 mm -70.41 -38.27 73.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.615 1.197 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -54.82 -32.67 60.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.55 -22.51 28.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.7 mp -89.16 -13.31 38.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.374 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.48 ' CG2' HG21 ' A' ' 100' ' ' ILE . 81.7 p -113.86 -48.79 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.596 1.185 . . . . 0.0 110.454 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.569 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 81.86 3.22 90.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.578 1.174 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.603 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 5.7 m-85 -102.7 126.96 49.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.812 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -87.33 161.44 17.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.953 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.11 -23.5 66.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.362 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -47.48 67.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.603 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 14.7 pt-20 -81.02 -31.57 34.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.44 ' O ' ' CG ' ' A' ' 114' ' ' MET . 6.7 ttm180 -51.07 -43.06 60.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -74.94 -32.98 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -55.39 -46.54 76.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 4.6 ptm -71.0 -4.66 26.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 110.981 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 2.2 mtt -105.22 -44.7 4.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.1 t -103.75 71.51 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.592 1.183 . . . . 0.0 110.419 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -71.48 173.48 7.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.378 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.449 ' CE ' ' HB2' ' A' ' 77' ' ' LEU . 7.7 ttt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.503 0.192 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.42 132.47 53.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -87.6 140.38 29.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.297 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.573 ' CD2' HG23 ' A' ' 78' ' ' VAL . 23.4 m-85 -116.92 142.55 30.0 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 172.22 16.78 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.444 1.76 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.485 ' CG2' HG21 ' A' ' 76' ' ' ILE . 2.1 t -123.41 140.82 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 2.0 tpmt? -99.38 146.45 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 3.7 mptt -64.98 112.15 3.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.24 28.91 2.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 29' ' ' LYS . 17.0 m-85 -131.02 155.0 82.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 138.24 22.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 p -133.84 31.69 3.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.16 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.89 149.64 49.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.161 . . . . 0.0 109.216 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.569 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 10.9 m-85 -53.3 -55.31 25.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.572 1.17 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -50.25 74.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 1.086 . . . . 0.0 109.357 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -50.0 -52.96 29.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.058 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 71' ' ' PRO . 52.5 mt -64.8 -40.07 87.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.45 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 1.6 mtmt -50.11 -37.2 32.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.1 mpt_? -77.44 -39.8 45.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.203 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -63.18 -33.88 76.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.497 ' CG2' ' CB ' ' A' ' 48' ' ' PHE . 11.2 mt -69.61 -55.17 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -68.09 -24.08 65.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.2 mm-40 -70.7 -19.98 62.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.596 HD13 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -98.11 -21.54 16.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.15 27.85 3.54 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.491 1.119 . . . . 0.0 111.06 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.596 ' CE1' HD13 ' A' ' 46' ' ' LEU . 9.3 m-30 -113.76 172.11 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.07 161.71 18.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.45 ' CG2' ' HG2' ' A' ' 40' ' ' LYS . 1.9 p -142.15 127.51 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.608 ' N ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -103.44 142.69 33.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -106.19 88.52 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.956 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -94.78 103.95 15.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.97 -104.88 0.73 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -118.61 -0.05 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mt -99.96 154.83 18.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.569 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -115.19 135.03 56.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.478 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 34.1 mm -115.08 131.32 67.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.62 140.55 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.8 t -108.79 104.63 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.549 HG22 ' CD2' ' A' ' 48' ' ' PHE . 11.0 pt -126.21 152.94 74.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.74 16.97 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.771 . . . . 0.0 111.062 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.56 -25.91 26.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.09 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.465 HG22 ' CG2' ' A' ' 67' ' ' ILE . 3.1 mp -107.97 148.89 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.736 . . . . 0.0 109.231 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.415 ' N ' HG21 ' A' ' 64' ' ' ILE . 30.4 t -81.41 -62.71 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -155.12 139.27 16.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.465 ' CG2' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -136.58 152.77 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.478 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 8.3 mt-10 -107.07 135.95 47.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.481 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -121.0 136.9 56.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.02 88.9 17.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.604 1.19 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -75.02 130.83 13.62 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.458 1.767 . . . . 0.0 111.066 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.53 148.58 49.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -49.98 -40.13 43.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.74 -67.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.15 -168.46 3.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.07 . . . . 0.0 109.254 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.485 HG21 ' CG2' ' A' ' 28' ' ' VAL . 2.7 pt -134.69 158.88 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -141.32 154.49 45.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.381 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.573 HG23 ' CD2' ' A' ' 26' ' ' TYR . 0.6 OUTLIER -132.59 147.18 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -129.02 123.99 33.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 75.7 p -97.99 151.69 20.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.46 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.12 -88.21 1.42 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -119.49 119.16 33.04 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.471 0.748 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.43 ' O ' ' O ' ' A' ' 84' ' ' ASP . 1.2 m-85 -83.66 160.81 21.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.591 1.182 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 83' ' ' TYR . 0.4 OUTLIER -45.38 171.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 p -113.35 -55.0 2.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.395 1.059 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.1 1.42 28.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.416 ' HB1' ' CB ' ' A' ' 84' ' ' ASP . . . -111.8 130.24 55.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 91' ' ' ALA . 7.2 m-20 -66.1 106.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 2.6 pttt -49.42 -24.82 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.06 -37.13 58.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -73.72 -50.56 20.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 89' ' ' LYS . 5.0 m -58.35 -32.49 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.637 1.211 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 2.0 t -52.46 -33.15 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.463 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -66.82 -29.58 69.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.6 m -84.6 -32.47 23.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -74.37 -36.75 63.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.75 -40.63 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.16 -38.29 82.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.275 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.547 ' CE1' HD22 ' A' ' 103' ' ' LEU . 29.3 t80 -64.04 -43.88 94.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.573 HG23 ' CD2' ' A' ' 26' ' ' TYR . 21.5 mm -75.49 -37.72 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -54.97 -34.51 63.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.352 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.62 -17.12 29.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.378 1.049 . . . . 0.0 109.338 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.547 HD22 ' CE1' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -90.05 -16.55 29.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 100' ' ' ILE . 47.4 p -122.72 -42.81 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.512 ' HA3' ' CZ ' ' A' ' 32' ' ' PHE . . . 102.42 -33.85 6.21 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.566 ' CE1' ' HE3' ' A' ' 29' ' ' LYS . 31.3 m-85 -63.4 148.01 49.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 0.735 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -110.6 164.67 12.5 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.49 1.118 . . . . 0.0 109.991 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 111' ' ' ARG . . . -61.1 -32.94 72.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -62.03 -30.82 71.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.603 1.189 . . . . 0.0 109.376 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' ' 107' ' ' SER . 0.3 OUTLIER -61.91 -31.5 71.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.552 ' O ' ' CG ' ' A' ' 114' ' ' MET . 1.7 ppt_? -49.33 -33.14 12.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.513 ' O ' ' CG ' ' A' ' 115' ' ' MET . 0.1 OUTLIER -54.7 -41.6 70.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -53.4 -39.16 64.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.213 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.552 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -58.1 -15.94 11.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.513 ' CG ' ' O ' ' A' ' 112' ' ' LYS . 3.6 ptm -66.48 -18.07 65.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.7 p -84.47 49.82 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.393 1.058 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.22 86.42 7.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.5 ttp . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.443 0.163 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -113.12 138.4 49.99 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.538 1.149 . . . . 0.0 110.198 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -100.09 134.62 42.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CE2' HG22 ' A' ' 78' ' ' VAL . 16.0 m-85 -121.98 143.3 38.39 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 175.08 11.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.4 p -130.14 139.94 50.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.603 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -85.8 146.66 26.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -69.12 116.53 9.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.371 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.12 -27.03 8.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.603 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 5.6 m-85 -66.02 160.56 62.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.394 0.702 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 131.26 14.08 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.46 ' O ' ' CG2' ' A' ' 34' ' ' THR . 1.1 m -125.85 5.29 7.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -96.88 139.73 32.49 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.485 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.9 m-85 -48.32 -55.04 11.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.611 1.194 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -45.51 88.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.6 m -52.84 -45.87 67.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.6 mt -69.43 -37.32 74.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.635 1.21 . . . . 0.0 109.355 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.51 -36.42 61.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 109.361 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.1 mpt_? -77.26 -33.39 55.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -65.84 -43.23 89.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.476 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 20.0 mt -61.35 -54.49 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.0 t -65.54 -34.17 77.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.943 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -58.1 -36.13 72.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.603 HD12 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -80.67 -25.86 37.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.77 34.61 1.67 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.432 1.082 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CE1' HD12 ' A' ' 46' ' ' LEU . 10.8 m-30 -119.97 172.39 7.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.759 . . . . 0.0 111.046 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.71 161.09 16.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.11 129.32 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.632 1.208 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -113.35 146.6 39.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.5 p -104.08 114.59 28.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.932 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -111.98 95.48 5.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.36 -102.24 0.65 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.449 1.093 . . . . 0.0 111.041 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' C ' HD22 ' A' ' 56' ' ' LEU . 11.7 m-20 -118.6 -1.43 11.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 109.379 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 56' ' ' LEU . 2.5 mt -97.73 159.15 15.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.485 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -107.57 139.33 29.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.157 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 10.2 mm -119.19 137.99 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.66 144.09 36.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.225 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.5 104.47 12.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.427 ' CD1' HD12 ' A' ' 64' ' ' ILE . 9.2 pt -129.87 146.9 63.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.366 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 137.43 21.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.437 1.756 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.13 -24.46 32.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.427 HD12 ' CD1' ' A' ' 61' ' ' ILE . 5.7 mt -106.49 159.77 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.42 0.718 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.1 t -92.37 -62.33 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 110.029 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.02 139.91 17.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.07 144.13 31.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.462 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.2 mt-10 -114.31 138.26 50.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.601 1.188 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 69' ' ' ILE . 2.6 mp -123.84 144.18 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.451 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -136.87 92.2 14.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.463 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.0 Cg_endo -75.06 127.21 10.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.31 149.95 50.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.403 1.064 . . . . 0.0 109.383 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -52.57 -29.01 23.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.396 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -79.1 -65.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.11 -166.66 2.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.447 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.8 pt -134.57 157.32 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -142.2 154.14 44.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.568 HG22 ' CE2' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -133.22 148.27 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -131.44 122.74 26.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 47.0 p -101.49 144.91 29.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.437 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.85 -95.17 0.49 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -143.31 106.43 4.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.508 0.769 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.478 ' CE2' HG22 ' A' ' 92' ' ' VAL . 4.5 m-30 -58.54 156.79 10.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.61 118.99 21.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.88 -51.38 69.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -44.95 -40.97 6.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.219 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.21 152.1 34.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 91' ' ' ALA . 3.1 m-20 -74.78 103.01 4.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 10.2 mttp -49.13 -28.5 4.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.478 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.2 OUTLIER -76.41 -36.72 57.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.176 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -69.24 -51.87 33.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 109.212 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.478 HG22 ' CE2' ' A' ' 83' ' ' TYR . 35.6 m -56.99 -52.52 54.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.5 t -55.69 -40.35 59.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 90' ' ' LEU . 9.3 mmt85 -62.44 -32.88 73.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.0 m -85.34 -40.16 16.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.406 ' CE1' HG13 ' A' ' 100' ' ' ILE . 29.5 t80 -65.41 -41.82 93.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.157 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -63.34 -40.88 98.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -59.77 -36.08 75.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 99' ' ' PHE . 2.9 t80 -74.75 -47.15 32.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.481 HG23 ' CE2' ' A' ' 26' ' ' TYR . 33.7 mm -66.04 -49.46 76.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -50.59 -31.32 15.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -83.27 -24.91 32.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 100' ' ' ILE . 1.9 mp -90.0 -13.54 35.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 100' ' ' ILE . 38.2 p -111.61 -34.1 6.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.585 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 65.48 9.32 43.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.591 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 3.0 m-85 -112.01 127.35 55.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 100.0 p -88.98 165.42 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.415 ' HA ' ' HB2' ' A' ' 111' ' ' ARG . . . -65.32 -23.03 66.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -50.1 43.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.591 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 12.5 pt-20 -79.29 -39.62 32.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.419 ' CG ' ' HB3' ' A' ' 106' ' ' TYR . 25.6 mtm180 -51.22 -40.69 59.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.242 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.99 -29.19 58.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 16.4 mttm -59.61 -42.8 93.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.388 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -8.78 25.34 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.36 -38.06 7.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.117 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.5 t -98.04 101.84 13.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.414 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -42.91 157.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.601 1.188 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.0 ttm . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.563 0.22 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.95 139.66 32.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 110.238 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -93.37 163.92 13.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.559 ' CE2' HG11 ' A' ' 78' ' ' VAL . 46.9 m-85 -163.28 137.93 4.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.6 Cg_endo -74.9 168.93 23.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.7 p -125.39 145.3 32.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.528 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -89.15 147.0 24.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.366 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 15.7 tttm -73.7 100.42 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.64 -39.54 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 2.1 m-85 -46.2 167.0 0.15 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.497 0.763 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.425 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.1 Cg_endo -75.08 130.31 13.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.4 p -130.17 21.82 5.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.47 141.98 48.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.568 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.0 m-85 -47.57 -56.27 7.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -56.67 -46.29 81.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.425 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 3.0 m -55.88 -50.24 71.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.437 HG22 ' CD2' ' A' ' 103' ' ' LEU . 56.3 mt -68.17 -33.62 61.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.374 1.047 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.41 ' HG3' ' CG2' ' A' ' 50' ' ' VAL . 3.1 mtpt -56.99 -42.52 80.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.16 . . . . 0.0 109.338 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.3 mpt_? -71.35 -32.11 68.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -64.53 -40.58 95.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG2' ' CB ' ' A' ' 48' ' ' PHE . 17.8 mt -61.72 -55.21 25.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.415 1.072 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 t -66.55 -34.4 77.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 110.058 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 2.0 mm-40 -64.08 -26.52 68.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 0.0 110.313 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.585 HD12 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.6 -21.85 22.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.079 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.66 25.33 5.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.373 1.046 . . . . 0.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.585 ' CE1' HD12 ' A' ' 46' ' ' LEU . 10.7 m-30 -113.7 177.82 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.23 160.28 23.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.41 ' CG2' ' HG3' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -138.4 137.04 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -113.99 144.33 43.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -99.91 99.52 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -108.29 115.8 30.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 52.39 -109.06 0.79 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.52 3.78 10.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.798 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mt -99.47 157.67 16.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.568 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.7 OUTLIER -103.16 133.98 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.078 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.458 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 24.0 mm -114.19 127.42 71.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 99' ' ' PHE . . . -105.0 133.85 49.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.387 1.054 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 t -102.7 112.52 25.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 110.049 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.569 HG21 ' CD2' ' A' ' 48' ' ' PHE . 8.7 pt -133.37 153.9 80.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.78 22.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.46 -26.74 22.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.414 HG23 ' CG2' ' A' ' 67' ' ' ILE . 3.1 mp -108.56 156.49 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -89.63 -61.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -154.7 135.67 13.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.414 ' CG2' HG23 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -133.24 153.58 37.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.458 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 4.7 mt-10 -115.58 137.46 52.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.95 143.43 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.418 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 2.5 mppt? -137.89 92.19 12.89 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 138.33 22.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.86 148.67 37.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -63.32 -18.45 63.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -90.39 -65.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.75 -175.19 4.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.428 ' CD1' HG23 ' A' ' 104' ' ' THR . 1.3 pt -132.57 150.75 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -136.08 156.53 48.59 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.559 HG11 ' CE2' ' A' ' 26' ' ' TYR . 4.3 m -126.27 143.8 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -136.77 111.89 9.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.2 p -94.72 168.28 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.09 -72.89 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -134.54 133.75 40.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.43 ' O ' ' O ' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -98.16 160.86 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 83' ' ' TYR . 0.2 OUTLIER -43.55 167.72 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.563 1.164 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 m -111.43 -45.07 3.43 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.367 1.042 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.74 -18.97 25.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.43 ' HB2' ' CB ' ' A' ' 84' ' ' ASP . . . -86.72 122.18 30.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.359 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.463 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 1.8 m-20 -53.86 108.09 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 24.3 mttm -48.44 -45.46 36.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.597 1.186 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.9 -27.2 68.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.263 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -75.77 -51.27 13.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.424 HG22 ' CE2' ' A' ' 83' ' ' TYR . 4.7 m -69.02 -21.72 25.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 2.2 t -57.32 -41.07 77.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.499 ' C ' ' CD ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -64.68 -26.88 68.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.1 m -86.57 -30.48 21.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -65.89 -49.4 68.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 101' ' ' GLU . 7.9 m-20 -68.55 -37.87 80.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -52.95 -40.89 64.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 59' ' ' ALA . 13.5 t80 -67.95 -38.66 83.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.502 ' O ' ' CG2' ' A' ' 104' ' ' THR . 10.7 mm -74.85 -31.12 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -60.39 -35.21 75.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -19.81 33.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.437 ' CD2' HG22 ' A' ' 39' ' ' ILE . 2.5 mp -91.38 -11.8 36.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 100' ' ' ILE . 60.7 p -116.3 -42.79 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.595 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 82.52 6.31 88.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.113 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.487 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 6.2 m-85 -103.01 126.27 50.12 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.546 0.792 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.96 168.74 10.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.08 -21.91 66.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.47 -52.22 28.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.407 ' CD ' ' HA ' ' A' ' 106' ' ' TYR . 11.0 pt-20 -80.71 -31.92 35.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.436 ' O ' ' CG ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -51.2 -41.97 60.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -75.5 -34.96 60.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -52.75 -46.82 67.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -66.85 -8.24 27.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.96 15.37 28.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 85.7 m -95.35 -38.38 10.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -51.9 61.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.419 1.074 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.9 t0 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.55 0.214 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -105.1 128.79 53.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.362 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -97.88 128.27 44.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.576 ' CE2' HG21 ' A' ' 100' ' ' ILE . 24.4 m-85 -117.14 149.31 44.13 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.532 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.1 Cg_endo -75.07 169.62 22.2 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.539 ' CG2' ' CG2' ' A' ' 76' ' ' ILE . 15.5 t -129.72 128.59 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.258 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -70.06 144.48 52.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 15.1 mttt -67.37 105.6 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.2 -43.85 1.42 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 2.4 m-85 -42.66 165.77 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.443 0.731 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 131.73 14.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.782 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.449 ' CG2' HG12 ' A' ' 28' ' ' VAL . 38.5 p -135.12 27.34 3.52 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -121.32 148.15 44.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.559 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 9.4 m-85 -55.72 -52.11 65.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.98 -48.02 81.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -56.28 -52.98 62.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.634 1.209 . . . . 0.0 110.063 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.46 HG22 ' CD1' ' A' ' 43' ' ' ILE . 48.0 mt -64.19 -39.41 85.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HG3' ' CG1' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -50.68 -48.29 58.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.51 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.7 mpt_? -77.18 -29.73 54.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -39.0 90.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.487 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 9.4 mt -66.88 -53.12 37.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -67.79 -26.39 66.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -64.95 -19.18 65.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.606 HD12 ' CE1' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -96.42 -21.42 17.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.601 1.188 . . . . 0.0 109.248 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.37 32.57 2.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.404 1.065 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.606 ' CE1' HD12 ' A' ' 46' ' ' LEU . 11.2 m-30 -118.78 177.61 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.29 162.39 17.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.464 ' CG1' ' HG3' ' A' ' 40' ' ' LYS . 2.6 p -138.95 128.99 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -114.36 144.71 42.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 p -102.61 116.2 32.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.938 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -117.59 90.98 3.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.339 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.16 -106.5 1.99 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' C ' HD21 ' A' ' 56' ' ' LEU . 6.3 m-20 -118.48 -0.71 11.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 0.774 . . . . 0.0 109.233 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.434 ' N ' HD21 ' A' ' 56' ' ' LEU . 3.8 mt -96.83 160.2 14.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.517 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -105.54 139.63 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 23.6 mm -119.91 132.66 69.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.57 139.64 43.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.57 1.169 . . . . 0.0 109.228 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.15 101.33 10.12 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.443 1.09 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.542 HG22 ' CD2' ' A' ' 48' ' ' PHE . 14.8 pt -122.66 153.21 62.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.57 ' HD3' ' CE1' ' A' ' 48' ' ' PHE . 18.2 Cg_endo -75.03 134.16 17.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.405 ' HA3' ' CG1' ' A' ' 92' ' ' VAL . . . 100.5 -25.46 28.22 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.56 1.163 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.477 HD13 ' CD1' ' A' ' 61' ' ' ILE . 4.0 mp -107.42 151.13 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -86.57 -62.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -155.3 138.32 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.409 ' CG2' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.7 144.33 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.394 1.059 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.461 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 3.9 mt-10 -106.55 136.79 45.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.466 HG13 ' CG1' ' A' ' 78' ' ' VAL . 3.0 mp -125.36 141.23 45.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -136.31 93.1 15.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.364 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.559 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.1 Cg_endo -75.01 129.17 12.09 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.802 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.79 149.84 52.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.247 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -52.89 -28.42 23.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.444 ' CD ' ' HE2' ' A' ' 75' ' ' LYS . 7.5 ttm180 -77.87 -67.78 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.444 ' HE2' ' CD ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -153.04 -172.05 4.12 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.604 1.19 . . . . 0.0 109.396 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.539 ' CG2' ' CG2' ' A' ' 28' ' ' VAL . 7.2 pt -128.39 162.34 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -149.84 151.17 33.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.544 1.153 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.498 HG23 ' CD2' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -133.5 146.71 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 3.1 p-10 -136.47 132.86 35.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.3 p -106.75 165.72 11.11 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.416 1.073 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.78 -82.03 0.9 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.607 1.192 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -130.9 105.73 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.443 ' O ' ' O ' ' A' ' 84' ' ' ASP . 1.4 m-85 -60.73 161.44 7.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 83' ' ' TYR . 0.5 OUTLIER -45.4 172.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.9 p -108.22 -63.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -27.44 61.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 84' ' ' ASP . . . -69.4 125.86 27.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 109.365 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.4 m-20 -61.76 107.48 0.84 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -49.59 -25.43 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.33 -35.29 58.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -75.37 -51.79 12.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' TYR . 4.1 m -54.83 -34.47 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 2.7 t -58.17 -44.48 87.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.365 1.041 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.9 mmm-85 -63.36 -31.46 72.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.191 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.1 m -85.3 -26.18 26.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.47 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.46 ' N ' ' O ' ' A' ' 92' ' ' VAL . 43.4 t80 -74.49 -55.63 5.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -58.41 -39.02 78.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -54.98 -38.73 68.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 0.0 109.39 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -75.75 -38.86 58.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.576 HG21 ' CE2' ' A' ' 26' ' ' TYR . 15.2 mm -68.96 -52.49 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' GLY . 86.6 mt-10 -49.76 -27.57 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.349 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.43 -27.19 24.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 100' ' ' ILE . 3.5 mp -89.19 -15.0 34.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 100' ' ' ILE . 22.5 p -113.17 -33.74 5.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.472 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.579 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 73.87 2.05 60.46 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.401 1.063 . . . . 0.0 111.059 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.602 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 3.6 m-85 -106.99 128.48 54.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 p -92.52 170.82 9.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.948 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.22 -22.4 62.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.392 1.058 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -51.25 35.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.602 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 13.8 pt-20 -76.0 -40.39 53.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -50.46 -37.63 39.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 110.343 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -17.47 9.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 110' ' ' GLU . 6.3 mmtt -55.48 -38.88 69.69 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -82.44 -1.76 51.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.51 -22.08 13.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.069 . . . . 0.0 110.993 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.79 99.93 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.089 . . . . 0.0 110.476 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.73 40.84 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.592 1.183 . . . . 0.0 109.299 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 78' ' ' VAL . 1.2 ttt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.508 0.194 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.44 143.21 49.37 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.437 ' HG3' ' CE ' ' A' ' 23' ' ' MET . 1.0 OUTLIER -106.28 126.76 52.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.359 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.546 ' CE2' HG12 ' A' ' 78' ' ' VAL . 76.1 m-85 -115.13 143.74 30.83 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.535 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.4 Cg_endo -74.92 -174.5 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.612 1.849 . . . . 0.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.478 ' CG2' HG21 ' A' ' 76' ' ' ILE . 1.7 t -131.51 142.7 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.581 1.176 . . . . 0.0 109.39 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.52 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -94.47 143.61 26.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -67.41 99.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.7 -43.0 1.36 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 3.2 m-85 -48.37 157.69 0.67 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.446 0.733 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.433 ' CB ' ' HB2' ' A' ' 38' ' ' SER . 18.4 Cg_endo -75.01 136.97 21.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.7 p -128.79 33.15 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.43 162.21 24.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.568 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 6.9 m-85 -68.23 -48.6 64.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -52.43 65.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.433 ' HB2' ' CB ' ' A' ' 33' ' ' PRO . 80.8 p -49.93 -52.91 29.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.596 1.185 . . . . 0.0 110.03 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.457 HG21 ' CD2' ' A' ' 103' ' ' LEU . 90.4 mt -65.46 -40.76 89.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 109.409 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.466 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 5.6 mtpm? -53.06 -45.38 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' GLU . 1.9 mpt_? -68.7 -35.18 76.84 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.407 1.067 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -64.73 -39.35 93.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.469 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 37.0 mt -64.69 -50.32 76.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -71.2 -25.23 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.048 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' ARG . 1.1 mm-40 -77.94 -20.96 51.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.573 HD13 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -92.26 -19.76 21.84 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.148 . . . . 0.0 109.371 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.07 21.22 7.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.433 1.083 . . . . 0.0 111.026 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.573 ' CE1' HD13 ' A' ' 46' ' ' LEU . 11.7 m-30 -112.04 178.03 4.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.37 160.9 22.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 0.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 40' ' ' LYS . 2.4 p -140.4 130.5 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -111.28 144.56 40.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.6 m -107.94 98.66 8.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.952 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -101.54 89.76 3.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.337 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.27 -111.12 3.22 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.8 -1.13 12.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 56' ' ' LEU . 2.3 mt -96.59 159.79 14.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.568 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.2 tt -110.36 141.25 26.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.08 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 14.2 mm -124.56 128.55 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.93 135.51 39.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.22 96.8 6.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.557 HG21 ' CD2' ' A' ' 48' ' ' PHE . 10.4 pt -119.43 152.79 53.33 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.185 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.32 16.49 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.441 1.758 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.02 -24.85 30.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.469 HD12 ' CD1' ' A' ' 61' ' ' ILE . 3.4 mp -107.07 148.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.418 ' N ' HG23 ' A' ' 64' ' ' ILE . 22.9 t -83.3 -62.23 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 110.048 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.88 141.41 18.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.41 ' CG2' HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -141.52 151.38 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.468 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 8.9 mt-10 -110.22 142.19 42.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.415 HG12 ' CG2' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -127.31 136.68 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.227 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -138.49 91.25 12.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.531 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.7 Cg_endo -74.94 135.61 19.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -134.4 147.7 50.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.218 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -54.76 -31.61 58.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.159 . . . . 0.0 109.356 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.23 -69.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -146.5 178.94 7.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.478 HG21 ' CG2' ' A' ' 28' ' ' VAL . 4.0 pt -124.59 157.82 32.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -139.12 152.96 47.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.546 HG12 ' CE2' ' A' ' 26' ' ' TYR . 4.8 m -123.78 138.74 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -129.27 115.35 17.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.0 p -99.13 173.3 6.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -126.46 -74.56 0.21 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -139.51 135.89 33.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.417 0.716 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 84' ' ' ASP . 1.3 m-85 -91.56 161.78 14.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.416 1.072 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' A' ' 83' ' ' TYR . 2.4 m-20 -48.65 179.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.04 -55.33 2.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.04 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -101.04 48.5 0.89 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.41 ' HB1' ' CG1' ' A' ' 92' ' ' VAL . . . -128.81 130.32 46.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.458 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 3.1 m-20 -51.56 107.04 0.16 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 22.9 mttp -48.21 -26.55 1.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 94' ' ' ARG . 0.4 OUTLIER -77.42 -47.84 18.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -61.34 -52.88 62.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 89' ' ' LYS . 23.3 m -53.43 -44.25 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.61 -37.91 75.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.501 ' HA ' ' ND2' ' A' ' 97' ' ' ASN . 5.8 mmt85 -65.51 -34.82 79.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -85.83 -25.26 26.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -80.97 -51.68 8.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.504 ' OD1' ' C ' ' A' ' 97' ' ' ASN . 0.9 OUTLIER -65.96 -37.02 84.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 17.9 t70 -63.91 -39.52 94.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.536 1.147 . . . . 0.0 109.367 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.451 ' CE2' HD21 ' A' ' 103' ' ' LEU . 39.6 t80 -64.94 -48.82 72.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.532 HG23 ' CE2' ' A' ' 26' ' ' TYR . 14.9 mm -65.46 -42.52 93.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -51.98 -35.6 46.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.239 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.36 -28.28 31.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.457 ' CD2' HG21 ' A' ' 39' ' ' ILE . 4.5 mp -81.13 -17.2 50.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.216 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 100' ' ' ILE . 66.7 p -108.63 -37.33 5.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.587 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 89.31 -30.11 5.76 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.535 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 4.1 m-85 -72.76 126.95 31.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.04 169.87 10.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.91 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.7 -22.88 66.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -69.4 -50.28 47.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.411 1.07 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 113' ' ' LYS . 16.0 pt-20 -80.93 -31.42 35.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -47.47 59.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -37.42 77.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 18.2 mttt -51.05 -33.64 26.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 85.2 mmm -67.3 -48.24 68.2 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.387 1.054 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.5 ttm -57.82 -37.34 73.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.4 p -110.56 76.61 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -82.9 -10.68 58.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.438 0.161 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 3.2 mmp_? -95.98 142.98 27.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.458 1.099 . . . . 0.0 110.147 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.71 123.96 47.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.564 ' CD2' HG22 ' A' ' 100' ' ' ILE . 16.2 m-85 -119.46 146.87 42.14 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.537 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.4 Cg_endo -74.99 170.0 21.39 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.475 HG23 ' CG2' ' A' ' 34' ' ' THR . 14.9 p -129.27 119.68 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.598 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -60.86 146.14 47.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -70.97 106.98 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 124.32 -45.1 1.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.6 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 3.7 m-85 -42.62 165.28 0.1 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.547 0.793 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.451 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.6 Cg_endo -74.93 130.3 13.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.781 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.475 ' CG2' HG23 ' A' ' 28' ' ' VAL . 15.5 p -130.22 27.05 5.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -120.84 145.64 47.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.523 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 8.6 m-85 -49.97 -54.87 17.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -60.01 -48.86 79.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.451 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 4.6 m -50.44 -52.9 33.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.402 ' CG2' HD13 ' A' ' 103' ' ' LEU . 55.2 mt -65.01 -37.81 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.481 ' HG3' ' CG1' ' A' ' 50' ' ' VAL . 0.5 OUTLIER -54.83 -39.36 68.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.3 mpt_? -76.98 -35.58 57.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.595 1.184 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -33.99 76.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.454 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 17.9 mt -68.07 -51.39 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 48' ' ' PHE . 8.4 t -70.99 -31.39 67.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 2.5 mm-40 -66.72 -21.87 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.248 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.6 ' CD1' ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.98 -24.7 21.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.97 27.23 3.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.429 1.081 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CE2' ' CD1' ' A' ' 46' ' ' LEU . 15.1 m-30 -118.08 177.84 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 111.048 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.2 OUTLIER -116.57 162.01 18.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.481 ' CG1' ' HG3' ' A' ' 40' ' ' LYS . 2.1 p -142.38 129.3 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -109.43 143.43 39.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.229 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -104.35 102.96 12.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.02 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -104.9 115.11 29.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 53.65 -107.84 0.69 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -117.13 -2.18 11.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 0.793 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 56' ' ' LEU . 2.3 mt -95.69 161.94 13.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.523 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -111.13 143.08 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.324 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 7.3 mm -123.68 137.5 56.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.379 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.98 141.93 38.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -111.94 100.72 9.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.485 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 11.5 pt -121.07 156.29 57.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.548 ' HD3' ' CE1' ' A' ' 48' ' ' PHE . 18.3 Cg_endo -75.01 131.26 14.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.451 ' CA ' HG11 ' A' ' 92' ' ' VAL . . . 100.57 -26.51 24.31 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.134 . . . . 0.0 110.961 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.485 ' HB ' ' CG1' ' A' ' 61' ' ' ILE . 4.1 mp -108.37 140.75 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.437 ' N ' HG21 ' A' ' 64' ' ' ILE . 0.6 OUTLIER -73.96 -62.74 1.4 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 0.0 110.016 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.51 140.93 17.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.4 ' CD1' HG23 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -137.32 151.01 26.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.352 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.3 mt-10 -106.64 137.18 45.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.278 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.465 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -119.24 138.65 49.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.473 ' CB ' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -135.22 88.35 26.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 134.71 18.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 1.6 t0 -138.59 148.0 43.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -56.41 -30.02 62.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.412 ' N ' ' HG2' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -80.53 -64.89 1.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.276 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -150.64 -174.38 4.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.486 ' CD1' HG23 ' A' ' 104' ' ' THR . 1.7 pt -134.45 156.8 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.518 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -142.23 155.06 45.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.503 HG23 ' CE2' ' A' ' 26' ' ' TYR . 2.0 t -133.14 149.05 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -131.94 133.91 45.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.1 p -110.02 138.57 46.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.378 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.24 -93.59 1.8 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.89 110.51 17.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 84' ' ' ASP . 1.2 m-85 -67.06 160.84 25.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.424 ' CB ' ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -44.15 168.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.13 -53.81 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.037 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.32 -23.68 40.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.424 ' CB ' ' CB ' ' A' ' 84' ' ' ASP . . . -78.48 127.89 32.81 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.458 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 12.1 m-20 -61.24 106.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 0.0 109.191 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -49.04 -30.17 5.93 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.441 1.088 . . . . 0.0 109.379 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tp -76.37 -34.13 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -75.24 -52.47 10.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.406 1.066 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.451 HG11 ' CA ' ' A' ' 63' ' ' GLY . 2.8 m -53.37 -31.24 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 3.8 t -55.82 -40.7 63.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.382 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.492 ' C ' ' CD ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -62.68 -31.11 71.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 0.0 110.385 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 23.5 m -85.87 -30.54 22.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 1.046 . . . . 0.0 110.353 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -68.42 -45.82 71.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.49 -38.55 77.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -55.41 -37.71 67.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.389 1.056 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.564 ' CE2' HD21 ' A' ' 103' ' ' LEU . 11.1 t80 -72.54 -52.73 14.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.564 HG22 ' CD2' ' A' ' 26' ' ' TYR . 30.7 mm -58.58 -34.38 51.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 105' ' ' GLY . 24.9 tt0 -55.88 -43.14 76.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.233 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.08 -17.83 30.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.073 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -80.22 -28.81 38.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.248 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.486 HG23 ' CD1' ' A' ' 76' ' ' ILE . 71.6 p -112.38 -34.58 5.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.103 . . . . 0.0 110.386 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.6 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 92.71 -25.48 18.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.605 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 12.4 m-85 -79.48 125.11 29.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.735 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -83.49 160.87 21.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' A' ' 111' ' ' ARG . . . -64.54 -21.09 66.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -45.69 56.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.605 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 14.3 pt-20 -80.4 -32.76 37.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.528 ' C ' ' CD ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -50.99 -35.7 35.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.491 ' N ' ' HG3' ' A' ' 111' ' ' ARG . 0.1 OUTLIER -51.95 -22.86 4.27 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -46.37 -35.03 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.7 mtm -64.62 -36.39 84.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -78.18 -47.16 18.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.646 1.216 . . . . 0.0 111.022 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 87.4 m -110.3 86.62 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.64 166.72 13.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.246 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.9 ttt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.477 0.18 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.492 ' HD2' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -109.78 142.91 40.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 110.335 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.97 124.23 47.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.557 ' CE2' HG21 ' A' ' 100' ' ' ILE . 50.1 m-85 -115.91 139.54 25.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.947 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.545 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 164.95 32.32 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.481 ' CG2' HG22 ' A' ' 76' ' ' ILE . 6.7 t -121.37 135.14 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.583 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -80.27 143.55 33.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 3.8 ttmt -65.76 107.71 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 121.26 -41.3 1.92 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 2.6 m-85 -47.82 162.35 0.32 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.591 0.818 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.419 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.3 Cg_endo -75.08 131.36 14.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.812 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.409 ' CG2' HG13 ' A' ' 28' ' ' VAL . 9.9 p -133.48 26.53 4.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.41 144.43 45.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.572 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 7.7 m-85 -48.84 -54.57 14.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -57.78 -47.09 83.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.381 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.419 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 61.9 m -52.82 -52.89 55.22 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.438 1.087 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.463 HG21 ' CD2' ' A' ' 103' ' ' LEU . 11.5 mt -64.28 -37.84 80.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.47 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 7.7 mttm -53.35 -41.82 66.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -77.24 -32.53 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -66.4 -38.84 88.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.479 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 9.3 mt -63.44 -55.05 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.166 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.9 t -65.77 -34.83 79.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.41 -31.62 66.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.606 HD11 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -83.62 -25.26 30.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.77 33.54 1.86 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.606 ' CE1' HD11 ' A' ' 46' ' ' LEU . 11.1 m-30 -119.5 178.29 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.5 162.29 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 40' ' ' LYS . 2.7 p -139.59 129.01 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.389 1.056 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -111.73 144.54 40.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.88 114.53 28.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -114.65 91.6 3.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.51 -104.52 1.38 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.435 1.084 . . . . 0.0 110.976 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.17 -1.71 11.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.756 . . . . 0.0 109.356 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.42 ' N ' HD22 ' A' ' 56' ' ' LEU . 3.0 mt -96.41 158.78 15.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.558 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -107.18 138.42 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 6.3 mm -120.37 137.09 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.14 147.22 29.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.56 106.86 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.477 ' CG1' ' HB ' ' A' ' 64' ' ' ILE . 7.1 pt -129.95 152.73 80.44 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 136.17 20.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.61 -26.22 24.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.477 ' HB ' ' CG1' ' A' ' 61' ' ' ILE . 1.6 mp -108.02 147.25 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.356 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 64' ' ' ILE . 1.7 m -79.85 -62.19 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.097 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.3 144.57 21.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.32 149.7 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.232 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.468 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 4.6 mt-10 -115.2 136.6 52.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.205 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 69' ' ' ILE . 3.3 mp -128.27 144.59 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.351 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 2.0 mppt? -135.33 91.41 18.96 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -74.91 126.02 9.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.778 . . . . 0.0 111.085 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.4 152.63 48.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -54.01 -36.6 63.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -67.97 0.47 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 1.147 . . . . 0.0 110.234 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.39 -177.92 6.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 109.347 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.481 HG22 ' CG2' ' A' ' 28' ' ' VAL . 6.8 pt -125.45 160.2 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -147.12 152.47 38.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.404 HG23 ' CE2' ' A' ' 26' ' ' TYR . 3.2 t -133.35 149.18 31.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -134.48 123.42 23.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.4 p -95.85 133.88 39.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.21 -89.12 0.06 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.528 1.142 . . . . 0.0 111.051 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.76 107.85 4.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 0.732 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CD2' HG21 ' A' ' 92' ' ' VAL . 3.1 m-30 -63.86 155.09 31.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.09 112.8 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.389 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.95 -29.67 68.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.927 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.04 19.2 5.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -128.62 135.6 49.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.469 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 13.0 m-20 -51.15 105.16 0.09 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.396 1.06 . . . . 0.0 109.39 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.531 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 2.4 mttt -58.98 -23.05 61.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 94' ' ' ARG . 7.0 mp -77.92 -49.53 14.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -54.67 -54.42 41.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.566 HG21 ' CD2' ' A' ' 83' ' ' TYR . 2.6 m -55.12 -42.18 63.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.53 -36.92 77.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' LEU . 9.7 mmt180 -66.82 -39.4 87.68 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.617 1.198 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -83.15 -28.92 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 110.443 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 40.1 t80 -77.53 -34.31 53.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -66.42 -44.74 82.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -56.36 -37.29 69.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CE1' HD22 ' A' ' 103' ' ' LEU . 25.7 t80 -69.08 -41.01 78.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.408 1.068 . . . . 0.0 111.029 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.557 HG21 ' CE2' ' A' ' 26' ' ' TYR . 22.5 mm -73.86 -43.06 53.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.8 OUTLIER -56.32 -32.54 64.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.95 -27.81 26.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.368 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.57 HD22 ' CE1' ' A' ' 99' ' ' PHE . 2.9 mp -83.79 -17.39 41.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 100' ' ' ILE . 77.2 p -109.94 -40.91 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.427 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.587 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 87.47 -18.03 40.31 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.577 1.173 . . . . 0.0 111.056 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.622 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 4.0 m-85 -88.68 126.13 35.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 0.739 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.97 161.75 21.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.051 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.435 ' HA ' ' HB3' ' A' ' 111' ' ' ARG . . . -65.73 -21.77 66.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.404 1.065 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -73.42 -46.43 48.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.622 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 12.7 pt-20 -78.06 -33.24 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.475 ' O ' ' CG ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -50.28 -36.51 31.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -24.87 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.365 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 110' ' ' GLU . 2.8 mmmt -53.56 -44.53 69.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -65.35 -12.71 54.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 111.078 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -99.02 -30.14 12.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 29.5 p -152.28 95.26 2.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.79 -47.77 30.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.369 179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.471 ' CG ' ' HB2' ' A' ' 79' ' ' ASN . 1.9 ttm . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.503 0.192 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -117.54 158.7 24.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -139.08 119.83 14.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.357 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -124.39 143.02 41.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.563 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.5 Cg_endo -74.85 170.66 19.88 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.807 . . . . 0.0 111.021 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.483 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.5 t -124.25 128.74 74.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.417 1.073 . . . . 0.0 109.288 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.595 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -71.75 147.07 47.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -66.17 103.81 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.393 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.36 -37.27 3.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 1.1 m-85 -49.29 159.76 0.6 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 111.051 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 126.74 10.19 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.5 t -136.5 33.81 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.41 152.5 47.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.577 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 18.3 m-85 -51.75 -54.76 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' NE ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -59.28 -51.89 68.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -52.76 33.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.403 HG22 ' CD2' ' A' ' 103' ' ' LEU . 63.5 mt -65.76 -42.21 91.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.462 ' HG2' ' CG2' ' A' ' 50' ' ' VAL . 7.5 mttp -51.96 -50.37 61.37 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.439 ' NE ' ' OD1' ' A' ' 37' ' ' ASP . 1.2 mpt_? -66.11 -34.02 77.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.372 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -67.09 -41.42 86.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.227 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.471 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 17.8 mt -59.73 -53.73 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.394 1.059 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.1 t -67.21 -39.24 86.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.045 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -26.98 61.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.246 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.603 HD11 ' CE1' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -86.48 -26.27 24.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.82 30.37 2.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CE1' HD11 ' A' ' 46' ' ' LEU . 13.1 m-30 -119.16 174.91 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 111.075 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.16 162.42 15.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.372 1.045 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 40' ' ' LYS . 2.5 p -141.29 128.14 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -109.35 144.19 37.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.39 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.1 p -103.5 103.7 13.69 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.465 1.103 . . . . 0.0 109.976 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.22 93.88 5.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.05 -102.97 0.91 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -118.62 -3.84 10.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.8 . . . . 0.0 109.396 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.435 ' N ' HD21 ' A' ' 56' ' ' LEU . 3.7 mt -95.0 159.91 14.81 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.577 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -110.71 141.4 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 5.9 mm -124.0 142.18 41.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.22 146.12 36.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.117 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.69 102.02 9.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.074 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.436 ' CD1' HD13 ' A' ' 64' ' ' ILE . 12.0 pt -124.32 151.81 66.95 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 133.9 17.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.568 1.825 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.3 -25.97 26.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.571 1.169 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.436 HD13 ' CD1' ' A' ' 61' ' ' ILE . 2.7 mp -107.87 150.0 10.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.513 0.773 . . . . 0.0 109.269 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.7 t -81.94 -62.72 1.55 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.4 1.062 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 -155.48 146.89 22.84 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -139.64 150.31 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.472 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 4.5 mt-10 -111.67 135.97 51.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.414 HD12 ' N ' ' A' ' 69' ' ' ILE . 2.6 mp -129.89 144.44 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.483 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -141.37 92.28 8.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.366 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -74.98 131.98 14.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.21 154.77 47.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -52.7 -40.62 63.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.4 1.062 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.99 -74.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.365 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' C ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -141.85 -168.4 2.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.483 HG23 ' CG2' ' A' ' 28' ' ' VAL . 9.5 pt -130.68 163.27 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.618 1.199 . . . . 0.0 109.258 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -145.91 153.5 40.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.82 147.83 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.471 ' HB2' ' CG ' ' A' ' 23' ' ' MET . 27.7 t30 -135.84 124.97 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.2 p -112.2 -177.92 3.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -125.97 -117.28 2.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.587 1.179 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.89 123.8 48.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.406 ' CE2' HG22 ' A' ' 92' ' ' VAL . 2.6 m-30 -84.25 154.24 23.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -67.96 106.75 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.72 -32.82 53.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.562 1.164 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -37.84 88.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.96 131.82 35.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 91' ' ' ALA . 6.2 m-20 -53.39 106.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.478 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -48.89 -26.22 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.404 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.25 -38.26 51.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 109.354 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -68.76 -52.57 29.08 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.445 1.09 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 89' ' ' LYS . 34.4 m -53.52 -47.94 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.447 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 2.2 t -65.02 -33.03 60.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.491 ' HA ' ' ND2' ' A' ' 97' ' ' ASN . 0.2 OUTLIER -67.86 -37.62 82.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.267 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 m -86.59 -30.14 22.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.17 . . . . 0.0 110.358 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.413 ' O ' ' HB3' ' A' ' 99' ' ' PHE . 17.2 t80 -75.7 -55.31 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.541 ' OD1' ' C ' ' A' ' 97' ' ' ASN . 1.3 p30 -56.37 -31.84 64.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.2 OUTLIER -65.52 -40.39 92.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.505 ' CE1' HD21 ' A' ' 103' ' ' LEU . 1.9 t80 -66.98 -32.54 73.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.458 ' CG2' HG22 ' A' ' 104' ' ' THR . 29.2 mm -81.34 -36.98 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.3 tt0 -54.79 -33.26 61.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -86.31 -24.93 25.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.505 HD21 ' CE1' ' A' ' 99' ' ' PHE . 1.6 mp -81.95 -20.03 39.46 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.65 1.218 . . . . 0.0 109.28 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.458 HG22 ' CG2' ' A' ' 100' ' ' ILE . 70.0 p -112.34 -49.21 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.338 1.024 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.593 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 94.28 -20.21 49.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.606 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 6.7 m-85 -84.44 125.03 31.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.34 159.4 21.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.405 1.065 . . . . 0.0 110.041 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 111' ' ' ARG . . . -63.17 -21.12 66.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -45.94 54.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.606 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 12.9 pt-20 -80.81 -32.3 35.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 110.245 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.531 ' C ' ' CD ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -50.61 -35.82 32.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.508 ' N ' ' HG3' ' A' ' 111' ' ' ARG . 60.3 tttt -78.09 -38.15 44.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -48.62 -47.63 39.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.394 1.059 . . . . 0.0 109.313 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.473 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 11.4 ptm -69.34 -22.23 63.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.512 1.133 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -82.88 -45.18 14.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.3 p -91.81 131.41 37.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -57.45 132.58 53.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.54 0.21 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -101.36 134.8 43.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -105.05 121.37 43.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CD2' HG23 ' A' ' 100' ' ' ILE . 34.2 m-85 -115.56 149.79 43.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.445 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.07 172.06 17.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.62 1.853 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.476 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.4 t -121.95 149.32 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.535 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -98.42 146.43 25.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.226 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -69.67 118.16 12.19 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.418 1.074 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.88 -41.58 2.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.586 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 3.6 m-85 -48.1 161.5 0.37 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 111.071 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.0 Cg_endo -74.97 128.3 11.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.0 p -123.95 24.39 8.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.43 144.76 50.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.579 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 9.8 m-85 -46.9 -55.94 7.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.9 -52.25 66.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.418 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -51.46 -52.37 47.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 110.011 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.404 HG23 ' CD1' ' A' ' 103' ' ' LEU . 6.8 mt -64.82 -37.8 81.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.93 -37.5 60.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.3 mpt_? -76.22 -36.45 58.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.355 1.034 . . . . 0.0 110.259 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -33.35 75.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 109.391 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.48 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 21.4 mt -70.2 -53.61 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.9 t -69.29 -26.67 64.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.8 mm-40 -67.38 -30.12 69.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 110.36 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.602 ' CD1' ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -81.68 -24.5 36.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.68 32.19 2.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.337 1.023 . . . . 0.0 111.034 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.602 ' CE2' ' CD1' ' A' ' 46' ' ' LEU . 11.8 m-30 -119.14 179.0 4.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 110.984 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.4 OUTLIER -122.01 162.47 21.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 p -139.37 138.85 39.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -114.32 144.79 42.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.0 115.82 30.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' CD ' ' NH1' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -121.61 91.79 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.86 -105.33 1.52 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 111.105 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -119.64 -1.49 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.435 ' N ' HD21 ' A' ' 56' ' ' LEU . 6.2 mt -95.22 155.85 16.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.579 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -105.85 133.56 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.361 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.1 mm -117.58 128.05 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.45 145.49 26.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -111.87 95.7 5.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.477 HG22 ' CD2' ' A' ' 99' ' ' PHE . 19.3 pt -119.38 157.04 52.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 133.5 16.59 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.594 1.839 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.466 ' CA ' HG13 ' A' ' 92' ' ' VAL . . . 100.07 -25.65 27.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.467 HG21 ' CG2' ' A' ' 67' ' ' ILE . 3.4 mp -108.47 149.94 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.498 0.763 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.419 ' N ' HG23 ' A' ' 64' ' ' ILE . 24.5 t -90.79 -55.55 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.006 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.437 ' NH1' ' CD ' ' A' ' 53' ' ' GLU . 28.0 mtt180 -156.68 141.76 17.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.467 ' CG2' HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -142.78 153.77 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.393 1.058 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -111.47 135.66 51.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.465 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 2.3 mp -125.14 145.01 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.467 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -141.24 94.99 7.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.559 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.0 Cg_endo -75.11 127.99 11.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.97 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.42 156.6 43.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -56.73 -43.04 80.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -71.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' C ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -147.45 -173.46 4.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.243 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.476 HG23 ' CG2' ' A' ' 28' ' ' VAL . 4.7 pt -126.07 160.38 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.547 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -141.86 154.44 45.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.426 HG21 ' CD2' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -132.76 147.42 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -133.69 120.61 20.84 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.9 p -91.97 124.55 36.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.376 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.2 -65.59 1.03 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -135.02 149.43 50.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.574 ' CE2' HG23 ' A' ' 92' ' ' VAL . 1.7 m-85 -123.57 161.12 25.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -37.43 145.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.36 -20.86 26.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -99.23 -64.09 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.56 141.9 8.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 124.434 1.084 . . . . 0.0 109.381 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 91' ' ' ALA . 29.9 m-20 -70.55 114.63 8.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.501 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 9.6 pttp -48.14 -31.03 5.12 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 tp -77.05 -32.48 56.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -75.74 -49.24 18.78 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.574 HG23 ' CE2' ' A' ' 83' ' ' TYR . 10.8 m -60.22 -30.02 45.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 2.3 t -51.09 -36.87 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -28.53 69.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.4 m -86.57 -35.17 19.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -60.27 -45.76 92.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.41 -35.92 76.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -55.44 -39.99 70.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 6.9 t80 -64.14 -53.09 55.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.533 HG23 ' CD2' ' A' ' 26' ' ' TYR . 29.4 mm -61.71 -32.7 54.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.5 OUTLIER -55.95 -46.16 78.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -83.67 -22.42 32.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.579 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -72.2 -44.82 62.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.228 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.488 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 46.3 p -96.99 -39.89 9.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.447 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.586 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 93.68 -2.03 69.5 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.448 1.093 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.563 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 4.5 m-85 -95.14 129.48 42.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.465 0.744 . . . . 0.0 111.078 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.37 174.8 7.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.56 -23.64 61.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -68.09 -49.29 62.17 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.563 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 15.2 pt-20 -79.17 -31.78 44.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.448 1.093 . . . . 0.0 110.37 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.455 ' O ' ' CG ' ' A' ' 114' ' ' MET . 49.0 ttp85 -50.61 -31.6 16.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -67.69 -28.03 67.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -53.09 -43.99 67.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.455 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -64.77 -13.98 57.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 0.0 110.954 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.6 -41.01 10.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 113' ' ' LYS . 12.9 t -96.55 152.67 18.41 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.512 1.132 . . . . 0.0 110.421 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -74.34 150.04 40.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.2 ttm . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.523 0.201 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.9 128.16 53.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.22 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -91.45 125.47 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.474 ' CE2' HG21 ' A' ' 78' ' ' VAL . 74.8 m-85 -112.25 150.4 42.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 168.53 24.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.57 1.826 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 75' ' ' LYS . 7.3 p -134.63 139.22 48.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -81.73 146.32 30.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.27 127.4 32.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.82 -39.6 2.7 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.543 1.152 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.709 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 2.6 m-85 -47.91 165.5 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.597 0.822 . . . . 0.0 111.019 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 132.25 15.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.425 1.75 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.5 p -135.01 31.0 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.075 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.22 148.71 43.33 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.545 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 12.3 m-85 -52.03 -53.08 46.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.414 ' O ' ' CD ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -63.27 -50.93 68.19 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.383 1.052 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 m -49.42 -52.31 29.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.453 HG21 ' CD2' ' A' ' 103' ' ' LEU . 66.9 mt -69.8 -36.1 68.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.37 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -53.23 -37.17 61.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.414 ' CD ' ' O ' ' A' ' 37' ' ' ASP . 1.8 mpt_? -77.08 -35.8 56.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -38.97 91.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.472 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 14.4 mt -62.18 -51.16 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.53 -35.15 72.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' ARG . 1.4 mt-10 -65.88 -21.13 66.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.612 ' CD2' ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -88.13 -25.05 23.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.337 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.51 26.01 4.11 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.612 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 16.0 m-30 -117.91 179.73 4.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 0.719 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.06 162.23 18.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.7 p -141.47 126.89 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -113.3 144.34 42.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -102.71 110.11 21.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.96 90.21 3.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.48 -109.77 2.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.047 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -115.17 -2.71 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.418 ' N ' HD22 ' A' ' 56' ' ' LEU . 2.3 mt -97.54 160.61 14.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.545 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.3 tt -109.98 137.5 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.441 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 20.6 mm -116.69 131.72 68.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.598 1.186 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.15 144.32 29.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.82 102.21 9.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.057 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.407 HD11 ' CD1' ' A' ' 64' ' ' ILE . 8.2 pt -126.24 153.14 74.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.182 . . . . 0.0 109.176 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 135.19 18.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.66 -24.63 31.42 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.478 1.111 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' A' ' 83' ' ' TYR . 9.9 mt -106.91 160.94 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.503 0.767 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.408 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -95.63 -62.87 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -155.26 140.31 17.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 110.29 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.05 147.42 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.441 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 8.4 mt-10 -104.73 136.01 45.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.474 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -117.1 142.22 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.478 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -139.84 89.15 11.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 134.25 17.48 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.71 150.22 41.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.244 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 13.3 mptt -57.73 -37.28 73.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -68.65 -64.54 0.85 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.646 1.216 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.489 ' CD ' HD13 ' A' ' 77' ' ' LEU . 1.5 pptp? -154.12 -166.08 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.228 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.437 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 2.7 pt -138.91 158.56 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.53 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -148.37 152.11 36.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.36 1.037 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.474 HG21 ' CE2' ' A' ' 26' ' ' TYR . 4.1 t -130.9 149.52 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -124.06 120.64 33.0 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.0 p -109.69 146.07 35.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.444 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.84 -87.93 1.63 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -144.29 106.45 4.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 0.795 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.47 ' CE1' HD11 ' A' ' 64' ' ' ILE . 3.2 m-30 -58.25 152.53 17.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 103.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.77 -35.0 29.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.96 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -63.07 -51.02 68.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.83 141.27 46.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.456 ' CB ' ' HB1' ' A' ' 91' ' ' ALA . 82.7 m-20 -60.28 103.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -61.43 -28.49 69.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.385 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' A' ' 93' ' ' VAL . 5.2 tp -76.99 -30.69 56.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.456 ' HB1' ' CB ' ' A' ' 88' ' ' ASP . . . -76.99 -52.15 9.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 89' ' ' LYS . 31.4 m -54.63 -30.08 21.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 4.4 t -50.97 -34.29 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -73.72 -28.57 61.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -85.11 -33.09 22.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -78.69 -32.91 47.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.401 ' ND2' HG11 ' A' ' 93' ' ' VAL . 2.0 m-80 -71.49 -46.35 60.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -53.16 -36.26 60.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.464 ' CE1' HD22 ' A' ' 103' ' ' LEU . 17.5 t80 -65.43 -48.05 74.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 104' ' ' THR . 29.5 mm -69.67 -50.27 51.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 109.25 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 106' ' ' TYR . 21.8 tt0 -48.6 -31.23 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.294 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -85.32 -27.95 25.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.464 HD22 ' CE1' ' A' ' 99' ' ' PHE . 4.0 mp -86.13 -11.41 52.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 100' ' ' ILE . 17.1 p -103.63 -30.09 10.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.496 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.709 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 78.42 5.93 87.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.592 1.182 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.46 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 6.7 m-85 -94.82 126.12 39.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 109' ' ' LYS . 4.8 t -103.68 168.64 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.46 -27.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 107' ' ' SER . 0.4 OUTLIER -53.48 -45.64 69.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.509 ' CD ' ' N ' ' A' ' 110' ' ' GLU . 1.1 mm-40 -79.27 -47.59 15.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.73 -25.13 1.66 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.585 1.178 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 115' ' ' MET . 0.3 OUTLIER -84.72 -33.7 23.06 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -49.96 -25.67 3.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -22.91 21.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -90.03 -37.31 14.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 16.0 p -141.45 112.91 7.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -46.16 45.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.244 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.1 tmm? . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.512 0.196 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.62 151.95 27.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.642 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 25.8 mt-10 -121.23 165.29 15.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.642 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 47.5 m-85 -162.28 143.9 8.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.0 162.29 37.36 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.384 1.728 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.4 p -117.22 139.37 44.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -85.16 144.89 27.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.226 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -67.81 98.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 129.03 -43.45 1.31 Allowed Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.689 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 3.0 m-85 -44.17 160.33 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.423 0.719 . . . . 0.0 111.035 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.415 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.4 Cg_endo -74.96 139.03 23.91 Favored 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.406 1.74 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.8 p -136.57 31.87 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.6 142.97 51.37 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.527 1.142 . . . . 0.0 109.211 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.583 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.9 m-85 -47.49 -54.74 10.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.426 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -59.19 -48.94 79.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.22 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.415 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 35.8 m -53.13 -53.2 54.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.959 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 71' ' ' PRO . 16.5 mt -65.75 -41.44 90.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -46.47 55.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' GLU . 9.7 mpt_? -71.58 -36.49 70.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -64.15 -34.22 77.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.476 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 11.9 mt -68.54 -53.51 27.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.6 t -68.97 -29.2 67.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -63.24 -21.64 66.36 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.565 1.165 . . . . 0.0 110.232 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.616 ' CD1' ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -93.61 -24.49 17.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.21 34.29 1.82 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' A' ' 46' ' ' LEU . 10.6 m-30 -119.75 170.47 9.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.554 0.796 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.1 162.36 14.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 p -142.31 133.87 25.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.228 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -111.3 144.55 40.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.6 m -112.23 98.26 7.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.471 ' HG2' ' CG1' ' A' ' 58' ' ' ILE . 5.5 pt-20 -100.34 90.26 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.04 -104.0 2.18 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' C ' HD21 ' A' ' 56' ' ' LEU . 83.1 m-20 -121.95 1.19 9.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 56' ' ' LEU . 4.3 mt -97.53 154.47 17.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.583 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -109.06 139.04 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.471 ' CG1' ' HG2' ' A' ' 53' ' ' GLU . 7.1 mm -122.46 138.2 53.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -102.92 139.88 37.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.22 96.08 6.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 64' ' ' ILE . 15.2 pt -120.81 152.96 56.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.407 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 135.44 19.32 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.464 1.771 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.83 -26.08 25.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.469 HD12 ' CD1' ' A' ' 61' ' ' ILE . 3.7 mp -108.11 148.28 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.776 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.419 ' N ' HG21 ' A' ' 64' ' ' ILE . 21.8 t -82.55 -62.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.071 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -155.0 140.5 17.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.444 ' CG2' HG22 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.08 148.41 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 6.8 mt-10 -104.75 137.43 42.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.234 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.479 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -120.1 140.4 44.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -139.91 91.45 10.33 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.571 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -75.01 131.45 14.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.552 1.817 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.64 150.89 49.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -57.19 -42.33 81.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -67.5 -62.64 1.32 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.113 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.493 ' HD2' ' CD1' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -153.2 -166.17 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 104' ' ' THR . 0.8 OUTLIER -140.16 155.78 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.493 ' CD1' ' HD2' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -141.03 155.38 46.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.486 HG23 ' CD2' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -132.96 145.97 33.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -123.31 127.77 49.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.0 p -113.18 143.57 44.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.614 1.196 . . . . 0.0 110.445 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.35 -90.64 1.02 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 110.945 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -143.71 113.53 7.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 0.741 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.479 ' OH ' ' CD1' ' A' ' 96' ' ' TYR . 2.8 m-85 -69.21 159.86 32.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.95 113.9 5.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -47.0 88.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.956 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -54.19 -41.02 68.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.94 129.34 34.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.454 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -51.75 99.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.494 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 2.4 mttt -50.69 -30.1 12.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.68 -32.64 60.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -68.68 -52.06 35.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.103 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.2 m -62.86 -31.91 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.364 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 89' ' ' LYS . 2.3 t -53.4 -36.79 27.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -66.79 -29.37 69.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 3.2 m -86.22 -32.57 21.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.479 ' CD1' ' OH ' ' A' ' 83' ' ' TYR . 50.3 t80 -69.01 -43.48 74.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.626 1.204 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -39.32 77.21 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.442 1.088 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -38.38 59.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 10.3 t80 -76.37 -53.43 8.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 104' ' ' THR . 40.1 mm -56.03 -35.57 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.471 ' OE1' ' CB ' ' A' ' 107' ' ' SER . 2.2 mm-40 -54.49 -47.26 73.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.23 -15.85 45.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.079 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.573 ' CD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -82.56 -26.89 31.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.467 HG22 ' CD1' ' A' ' 76' ' ' ILE . 64.8 p -111.14 -47.67 3.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.461 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.689 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 111.51 -27.8 10.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.135 . . . . 0.0 111.078 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 30.2 m-85 -86.28 137.37 32.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 111.066 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.592 ' O ' ' HG3' ' A' ' 110' ' ' GLU . 39.8 p -109.64 -173.42 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.72 -20.32 61.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -66.99 -50.4 62.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.592 ' HG3' ' O ' ' A' ' 107' ' ' SER . 2.4 pp20? -66.95 -29.26 69.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.353 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.517 ' N ' ' CD ' ' A' ' 110' ' ' GLU . 1.4 tmm_? -49.77 -37.12 28.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.233 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -46.32 73.68 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -43.08 -53.35 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.478 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 13.9 ptp -70.82 -30.05 66.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.058 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.415 ' N ' ' HG3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -69.67 -55.58 9.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 110.962 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.8 p -106.01 114.64 28.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.376 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -44.71 165.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.417 0.151 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.58 131.96 53.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.351 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -117.24 120.92 39.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 0.0 110.365 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 1.029 ' CD2' HG21 ' A' ' 100' ' ' ILE . 56.8 m-85 -114.67 150.51 44.09 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.185 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 174.37 12.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.7 ' CG2' HG23 ' A' ' 76' ' ' ILE . 3.4 t -126.01 134.3 66.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.192 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -81.11 145.79 30.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -69.85 104.48 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.265 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 121.62 -45.59 1.2 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.58 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 3.5 m-85 -42.55 159.34 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.34 25.41 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.781 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.1 p -140.61 32.06 1.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.368 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.57 146.99 45.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.234 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.572 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.0 m-85 -51.15 -52.18 46.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -50.41 73.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 m -50.04 -52.8 31.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.95 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.901 HG22 HD11 ' A' ' 43' ' ' ILE . 98.3 mt -64.81 -40.89 90.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.629 ' HG2' HG11 ' A' ' 50' ' ' VAL . 1.6 mtpp -51.66 -40.47 60.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.4 mpt_? -75.02 -39.66 61.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.408 1.067 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -33.43 75.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.91 ' HA ' HD23 ' A' ' 46' ' ' LEU . 20.6 mt -69.04 -53.69 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.4 t -69.54 -25.39 64.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 109.947 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 2.0 mm-40 -73.74 -23.91 59.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.91 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -89.88 -22.8 21.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.33 24.91 4.58 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.881 ' CD2' HD21 ' A' ' 46' ' ' LEU . 10.7 m-30 -112.89 177.65 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.386 0.698 . . . . 0.0 111.004 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.28 161.76 21.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.629 HG11 ' HG2' ' A' ' 40' ' ' LYS . 2.4 p -140.21 134.04 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -116.09 144.94 43.47 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.552 1.158 . . . . 0.0 109.365 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.8 m -105.54 98.82 8.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.039 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -102.51 90.5 3.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 110.194 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.52 -109.93 2.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.578 1.173 . . . . 0.0 111.01 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.544 ' C ' HD23 ' A' ' 56' ' ' LEU . 2.4 m-20 -115.31 -3.68 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.791 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.58 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -96.73 158.0 15.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.443 1.09 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.572 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -107.62 139.06 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 27.5 mm -118.18 131.88 69.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' HB3' HG12 ' A' ' 67' ' ' ILE . . . -99.64 144.35 28.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.34 101.48 8.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.828 HD11 HD13 ' A' ' 64' ' ' ILE . 7.1 pt -122.54 154.64 63.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 139.46 24.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.98 -25.65 20.73 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.828 HD13 HD11 ' A' ' 61' ' ' ILE . 2.4 mp -107.69 145.32 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 0.795 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 m -77.28 -62.47 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.892 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.05 142.13 19.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.429 1.081 . . . . 0.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.673 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.4 153.35 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 8.0 mt-10 -109.91 137.4 47.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.572 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -121.62 135.82 60.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 1.1 mppt? -134.67 90.12 24.14 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.249 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.515 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -74.97 140.99 26.18 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.26 148.18 37.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.6 mttt -52.37 -36.83 54.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.509 ' CZ ' ' HA ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -71.19 -68.83 0.41 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.554 ' NZ ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -148.92 -166.75 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.914 HD11 HG22 ' A' ' 104' ' ' THR . 9.6 pt -135.02 164.25 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.86 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -148.87 153.62 38.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.27 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.442 HG13 HD13 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -132.86 147.81 31.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -130.99 116.32 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.466 ' CG2' ' CZ ' ' A' ' 96' ' ' TYR . 61.3 p -96.72 152.42 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.77 -113.64 3.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.24 137.35 43.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.561 ' CD2' HG21 ' A' ' 92' ' ' VAL . 4.4 m-30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.536 ' HA ' HG22 ' A' ' 92' ' ' VAL . 25.7 mttt -51.18 -27.85 9.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -31.04 58.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -73.79 -52.26 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.561 HG21 ' CD2' ' A' ' 83' ' ' TYR . 26.2 m -58.18 -24.6 24.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.333 1.02 . . . . 0.0 109.221 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.97 -37.28 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.511 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -64.47 -30.2 71.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.4 1.062 . . . . 0.0 110.346 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.451 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 16.3 m -87.45 -30.43 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.426 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.466 ' CZ ' ' CG2' ' A' ' 80' ' ' THR . 57.0 t80 -74.78 -38.55 62.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -72.76 -47.04 50.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 0.0 109.385 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -53.66 -37.58 63.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -60.84 -50.83 71.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.585 1.178 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 1.029 HG21 ' CD2' ' A' ' 26' ' ' TYR . 19.3 mm -72.35 -35.44 52.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -40.45 63.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 110.308 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -84.82 -23.03 29.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.611 HD21 HG23 ' A' ' 39' ' ' ILE . 1.5 tp -81.69 -12.86 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.914 HG22 HD11 ' A' ' 76' ' ' ILE . 81.1 p -117.41 -41.66 2.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 110.418 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.58 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 104.54 -38.62 3.18 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.437 1.086 . . . . 0.0 111.045 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 111.026 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.456 ' HG3' ' CB ' ' A' ' 79' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.574 0.226 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -97.56 149.81 21.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 110.279 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -120.5 123.51 43.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.482 ' CD2' HG23 ' A' ' 78' ' ' VAL . 24.6 m-85 -119.14 143.9 35.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.27 29.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.45 129.64 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -73.53 146.66 44.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 109.245 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 2.2 pttt -70.29 117.55 11.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.59 -41.38 2.23 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.429 1.081 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 3.4 m-85 -46.14 165.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.795 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 130.34 13.17 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.765 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.6 p -133.92 28.81 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.404 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.25 142.72 48.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.569 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 7.3 m-85 -49.34 -55.26 13.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -47.77 84.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.401 1.063 . . . . 0.0 109.23 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -52.77 31.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.867 HG22 HD11 ' A' ' 43' ' ' ILE . 9.2 mt -63.61 -41.71 93.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HG2' HG21 ' A' ' 50' ' ' VAL . 9.2 mttt -50.31 -38.74 43.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLU . 10.4 mpt_? -73.54 -41.45 62.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -38.73 92.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.867 HD11 HG22 ' A' ' 39' ' ' ILE . 20.4 mt -66.13 -55.5 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.5 t -66.06 -24.24 66.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -69.14 -39.49 78.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.798 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -77.36 -25.19 50.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.67 34.08 1.78 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.759 ' CD2' HG22 ' A' ' 61' ' ' ILE . 6.7 m-30 -115.12 160.7 19.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.85 157.38 17.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 58' ' ' ILE . 2.9 p -140.22 134.74 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -115.58 146.71 41.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.7 p -99.97 110.83 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.466 ' HB2' ' CG1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -110.82 93.62 4.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.26 -103.34 0.92 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.493 ' C ' HD23 ' A' ' 56' ' ' LEU . 73.3 m-20 -118.86 -3.3 10.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.365 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.552 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.2 mt -95.68 159.9 14.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.386 1.054 . . . . 0.0 109.22 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.497 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -106.3 137.64 35.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.214 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 50' ' ' VAL . 16.2 mm -116.63 129.54 72.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.378 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.33 137.65 43.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 t -109.18 105.75 15.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.759 HG22 ' CD2' ' A' ' 48' ' ' PHE . 6.9 pt -122.61 153.89 63.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.23 16.33 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.588 1.836 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.511 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 100.1 -25.27 28.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.837 HG21 HD12 ' A' ' 67' ' ' ILE . 2.7 mp -107.35 149.69 10.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.495 0.762 . . . . 0.0 109.237 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.3 t -82.74 -62.28 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 110.041 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -154.99 140.55 17.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.837 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -141.22 149.64 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.648 ' C ' HD12 ' A' ' 69' ' ' ILE . 7.1 mt-10 -114.16 135.89 53.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.76 HG13 HG13 ' A' ' 78' ' ' VAL . 2.5 mp -121.12 144.46 30.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.448 1.092 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.457 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.59 90.32 14.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.367 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.1 Cg_endo -75.03 125.81 9.54 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.2 152.18 43.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -28.75 59.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -62.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.86 ' HE3' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -152.14 -166.0 2.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.909 ' C ' HD13 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -140.96 164.51 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.909 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -147.6 153.78 39.83 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.76 HG13 HG13 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -132.96 146.51 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.456 ' CB ' ' HG3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -131.99 125.84 32.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 80.9 p -107.15 142.73 36.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.35 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.53 -83.33 0.8 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -146.18 109.7 4.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--N 1.323 -0.583 0 O-C-N 124.536 1.147 . . . . 0.0 110.952 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.3 m-20 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.624 ' HA ' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -50.74 -27.07 6.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.64 -33.19 60.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 109.373 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -74.06 -51.6 15.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.186 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.624 HG22 ' HA ' ' A' ' 89' ' ' LYS . 29.5 m -60.81 -33.5 55.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 89' ' ' LYS . 3.3 t -69.29 -38.11 76.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.632 1.207 . . . . 0.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -63.34 -30.81 71.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.3 m -86.06 -30.98 22.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -75.33 -39.34 59.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.16 -46.35 64.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.33 -34.19 70.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.459 ' CE2' HD22 ' A' ' 103' ' ' LEU . 59.6 t80 -68.09 -42.94 79.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.397 1.06 . . . . 0.0 111.055 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 103' ' ' LEU . 21.0 mm -75.26 -50.39 24.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.47 ' O ' ' CA ' ' A' ' 105' ' ' GLY . 5.9 tt0 -46.97 -32.19 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 -29.16 21.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.459 HD22 ' CE2' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -75.0 -35.9 62.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.432 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 2.8 p -100.99 -40.25 7.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.382 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.528 ' HA3' ' CZ ' ' A' ' 32' ' ' PHE . . . 103.6 -34.0 6.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.097 . . . . 0.0 111.014 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 110.996 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.5 ttm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.489 0.185 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.11 127.43 53.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -90.17 131.82 35.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.625 1.203 . . . . 0.0 110.344 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.506 ' CD2' HG21 ' A' ' 100' ' ' ILE . 29.7 m-85 -114.24 147.57 38.2 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 26' ' ' TYR . 18.3 Cg_endo -75.01 167.06 27.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.84 ' CG2' HG23 ' A' ' 76' ' ' ILE . 10.5 t -123.26 135.4 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -75.82 146.82 39.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 5.3 mptt -71.22 105.8 3.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.7 -44.87 1.26 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.364 1.04 . . . . 0.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 104' ' ' THR . 3.6 m-85 -43.18 159.93 0.21 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 142.78 28.39 Favored 'Trans proline' 0 C--N 1.362 1.26 0 O-C-N 124.466 1.772 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 p -136.57 29.3 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -117.33 148.24 41.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.607 1.192 . . . . 0.0 109.224 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.561 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 5.9 m-85 -52.89 -51.0 62.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -52.91 62.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.6 m -49.77 -52.65 30.28 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.436 1.085 . . . . 0.0 110.123 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.625 HG23 HD11 ' A' ' 103' ' ' LEU . 40.3 mt -64.56 -40.28 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.768 ' HG2' HG21 ' A' ' 50' ' ' VAL . 14.9 mtpt -51.98 -38.06 55.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 45' ' ' GLU . 2.6 mpt_? -76.58 -38.4 54.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.228 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -30.92 71.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.782 ' HA ' HD23 ' A' ' 46' ' ' LEU . 38.2 mt -70.72 -54.93 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -67.96 -31.11 70.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.956 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -61.44 -25.19 67.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.048 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.34 -23.97 22.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.268 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.59 32.05 2.21 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.412 1.07 . . . . 0.0 111.026 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 1.048 ' CE2' HD11 ' A' ' 46' ' ' LEU . 11.6 m-30 -118.74 176.6 5.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.74 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.58 162.08 18.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.768 HG21 ' HG2' ' A' ' 40' ' ' LYS . 1.7 p -138.69 132.1 39.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -112.95 144.31 42.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -107.81 99.26 8.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -102.61 92.1 4.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.28 -110.62 3.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.476 ' C ' HD23 ' A' ' 56' ' ' LEU . 20.8 m-20 -115.94 -4.3 12.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.537 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -95.14 159.71 14.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.642 HD11 ' HG3' ' A' ' 40' ' ' LYS . 1.1 tt -107.81 138.46 34.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 26.7 mm -119.09 137.52 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.84 144.74 31.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.48 100.37 8.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.874 HD11 HD13 ' A' ' 64' ' ' ILE . 13.7 pt -122.84 152.66 62.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 137.01 21.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.556 1.819 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.54 -25.37 28.52 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.095 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.874 HD13 HD11 ' A' ' 61' ' ' ILE . 1.2 mp -107.43 161.78 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.368 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.47 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 26.3 t -94.23 -62.4 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.2 136.77 14.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -135.32 151.48 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.8 mt-10 -109.04 137.16 47.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.57 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -119.76 135.06 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 1.5 mppt? -131.74 89.28 39.84 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.466 ' HB3' ' CD1' ' A' ' 39' ' ' ILE . 18.4 Cg_endo -75.05 134.17 17.4 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.22 150.91 43.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -57.52 -42.64 83.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -66.38 0.56 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.45 178.85 9.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.334 1.022 . . . . 0.0 109.4 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.917 ' C ' HD13 ' A' ' 77' ' ' LEU . 4.8 pt -126.37 160.09 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.917 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -145.64 154.03 41.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 1.144 . . . . 0.0 109.214 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.49 HG13 HD13 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -133.22 148.18 31.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.455 1.097 . . . . 0.0 109.195 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -136.89 127.37 26.74 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.409 ' HA ' HG22 ' A' ' 67' ' ' ILE . 74.5 p -96.33 161.49 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.25 -70.92 0.68 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.451 1.094 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -137.2 136.04 37.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.805 . . . . 0.0 109.26 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 111.087 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.454 ' O ' HG22 ' A' ' 92' ' ' VAL . 8.3 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -51.6 -29.4 17.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.571 1.169 . . . . 0.0 109.358 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -77.2 -30.05 54.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -72.98 -52.73 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 89' ' ' LYS . 6.2 m -59.7 -37.59 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.24 -37.36 78.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.47 1.107 . . . . 0.0 109.265 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 90' ' ' LEU . 2.3 mmt180 -65.52 -31.17 72.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -86.23 -32.7 21.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -72.02 -35.39 69.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.4 1.063 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -37.97 46.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -55.38 -37.69 67.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.7 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 6.7 t80 -63.53 -53.05 58.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.506 HG21 ' CD2' ' A' ' 26' ' ' TYR . 26.1 mm -60.23 -32.18 50.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.511 ' O ' ' CA ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -55.54 -43.33 75.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.208 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -22.43 22.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.222 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.7 ' CD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -71.72 -41.63 68.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.598 ' CG2' HD11 ' A' ' 76' ' ' ILE . 66.7 p -105.7 -35.99 7.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.397 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 101' ' ' GLU . . . 109.87 -34.8 5.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.59 1.181 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 110.973 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 78' ' ' VAL . 21.0 ttm . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.536 0.208 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.561 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -110.0 137.99 47.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 1.9 mt-10 -100.73 132.71 45.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.683 ' CD2' HG21 ' A' ' 100' ' ' ILE . 57.8 m-85 -125.35 146.81 55.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.527 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.5 Cg_endo -74.9 -170.1 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.554 1.818 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.507 HG21 ' CG2' ' A' ' 34' ' ' THR . 14.7 p -145.0 118.9 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.217 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -64.42 145.72 55.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -69.74 105.98 2.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.34 -43.53 1.46 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.586 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 3.1 m-85 -44.33 161.26 0.22 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.451 0.736 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.449 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.5 Cg_endo -74.99 127.01 10.34 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.506 1.793 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.507 ' CG2' HG21 ' A' ' 28' ' ' VAL . 6.4 p -132.89 31.88 3.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.53 152.15 42.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.22 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.459 ' HA ' HD12 ' A' ' 57' ' ' ILE . 7.2 m-85 -52.24 -55.58 20.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.43 ' CG ' ' N ' ' A' ' 38' ' ' SER . 6.6 p-10 -61.12 -50.44 73.21 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 5.0 m -49.82 -52.84 29.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.4 mt -69.76 -33.71 57.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.555 ' CG ' HG11 ' A' ' 50' ' ' VAL . 3.1 tttm -56.81 -38.79 73.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -74.6 -32.86 62.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -64.77 -47.35 78.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.879 ' HA ' HD23 ' A' ' 46' ' ' LEU . 31.6 mt -53.36 -53.28 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -67.79 -43.77 78.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.93 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -24.52 58.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.006 HD21 ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -88.64 -25.66 22.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.25 21.94 5.71 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 1.006 ' CD2' HD21 ' A' ' 46' ' ' LEU . 12.4 m-30 -112.79 175.2 5.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.463 ' CB ' ' HB3' ' A' ' 60' ' ' SER . 0.3 OUTLIER -114.91 156.54 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.555 HG11 ' CG ' ' A' ' 40' ' ' LYS . 2.4 p -139.0 130.07 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -112.82 144.48 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -99.13 97.94 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.123 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.06 95.05 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.263 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.21 -103.15 0.81 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.448 1.093 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.509 ' C ' HD23 ' A' ' 56' ' ' LEU . 4.5 m-20 -119.52 -1.92 10.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.546 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -96.27 164.32 12.71 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 69' ' ' ILE . 0.7 OUTLIER -109.67 140.67 27.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.454 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 32.4 mm -123.18 131.61 72.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.29 134.22 47.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 49' ' ' ASP . 8.1 t -108.74 104.39 13.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.946 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.927 HG22 ' CD2' ' A' ' 48' ' ' PHE . 9.0 pt -124.38 153.05 68.99 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.519 1.137 . . . . 0.0 109.37 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 133.03 16.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.45 1.763 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.06 -24.6 31.34 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 111.066 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.824 HG21 HD12 ' A' ' 67' ' ' ILE . 2.3 mp -106.78 152.54 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.593 0.819 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 -62.62 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -155.29 138.43 15.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.824 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.5 148.8 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.214 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.722 ' C ' HD13 ' A' ' 69' ' ' ILE . 8.7 mt-10 -110.19 144.7 38.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.722 HD13 ' C ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -126.15 123.44 63.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.782 ' CB ' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -116.47 89.32 26.78 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.67 9.5 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.464 1.77 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 0.6 OUTLIER -130.99 145.32 52.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -55.09 -43.29 73.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.085 . . . . 0.0 109.224 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HB3' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -64.27 -62.83 1.36 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' CD ' ' HB3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -153.48 -173.01 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.832 HD11 HG22 ' A' ' 104' ' ' THR . 3.6 pt -130.99 158.18 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.804 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -141.05 155.05 46.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 24' ' ' ARG . 4.2 m -127.07 138.34 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.362 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -130.94 117.81 19.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.1 p -111.48 175.11 5.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -118.99 -87.1 1.09 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -140.36 135.17 31.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.61 ' OH ' ' CD1' ' A' ' 96' ' ' TYR . 3.4 m-85 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.522 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 20.3 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.616 ' HA ' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -54.16 -29.89 47.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.413 ' N ' ' HG2' ' A' ' 89' ' ' LYS . 3.1 tp -74.7 -32.47 62.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -74.92 -51.61 13.35 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 89' ' ' LYS . 21.7 m -61.19 -38.3 79.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 89' ' ' LYS . 1.6 t -51.57 -34.33 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.491 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -67.42 -30.24 69.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 2.1 m -86.83 -36.24 18.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.61 ' CD1' ' OH ' ' A' ' 83' ' ' TYR . 29.0 t80 -70.79 -32.22 69.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -77.1 -37.66 53.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -66.0 -37.23 85.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.649 ' CE1' HD22 ' A' ' 103' ' ' LEU . 6.1 t80 -62.03 -41.18 97.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.683 HG21 ' CD2' ' A' ' 26' ' ' TYR . 9.6 mm -77.04 -46.74 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -48.53 -32.89 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.193 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.43 -26.95 27.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.649 HD22 ' CE1' ' A' ' 99' ' ' PHE . 4.2 mp -83.22 -16.45 46.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.832 HG22 HD11 ' A' ' 76' ' ' ILE . 82.3 p -110.2 -44.18 3.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.586 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 80.4 5.1 89.98 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.544 1.153 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.527 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 7.9 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.741 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 78' ' ' VAL . 30.5 ttm . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.528 0.204 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.661 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -103.13 141.62 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.59 132.42 51.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.659 ' HB3' HG21 ' A' ' 104' ' ' THR . 70.6 m-85 -124.28 141.85 38.5 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 178.46 7.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.477 HG21 ' CG2' ' A' ' 34' ' ' THR . 12.3 p -130.21 139.38 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.596 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -86.99 145.79 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 16.6 tttt -66.84 108.74 2.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.46 -48.18 0.97 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.487 1.117 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.596 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 3.7 m-85 -40.39 160.46 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 127.2 10.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.801 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.477 ' CG2' HG21 ' A' ' 28' ' ' VAL . 30.1 p -128.29 22.33 6.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.54 143.8 41.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.562 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 10.8 m-85 -52.85 -53.41 49.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -46.83 88.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.6 m -52.52 -52.91 52.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.342 1.026 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.641 ' CG2' HD21 ' A' ' 103' ' ' LEU . 50.7 mt -63.83 -37.92 80.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.59 ' HG2' HG11 ' A' ' 50' ' ' VAL . 1.5 mtmm -51.8 -39.63 59.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.484 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.1 mpt_? -76.76 -35.44 57.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -64.14 -36.62 84.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.796 ' HA ' HD23 ' A' ' 46' ' ' LEU . 28.0 mt -66.88 -54.97 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -67.24 -27.21 67.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.1 mm-40 -67.71 -27.3 66.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.572 1.17 . . . . 0.0 110.4 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -90.16 -22.53 21.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.55 27.23 3.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.788 ' CZ ' HD11 ' A' ' 46' ' ' LEU . 8.6 m-30 -112.12 170.64 8.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.81 157.87 21.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 1.188 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.59 HG11 ' HG2' ' A' ' 40' ' ' LYS . 2.3 p -144.27 135.52 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 109.31 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -115.44 143.54 45.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.7 p -97.31 106.43 18.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.06 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.89 116.42 30.6 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 48.46 -108.77 0.42 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.587 1.18 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.534 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -117.35 -0.21 12.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.555 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.4 mt -97.69 158.98 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.742 HG22 ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -107.11 138.21 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.563 ' O ' HG23 ' A' ' 50' ' ' VAL . 39.0 mm -116.9 129.08 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 109.372 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.485 ' HB3' HG12 ' A' ' 67' ' ' ILE . . . -107.11 142.23 37.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.16 113.85 22.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.068 HD11 HD12 ' A' ' 64' ' ' ILE . 6.6 pt -130.39 158.5 74.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 130.41 13.26 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.806 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.29 -26.12 25.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 1.068 HD12 HD11 ' A' ' 61' ' ' ILE . 22.0 mt -107.91 143.87 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.731 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.8 t -77.06 -61.46 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.07 144.2 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.628 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -137.67 153.29 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.487 ' C ' HD12 ' A' ' 69' ' ' ILE . 7.9 mt-10 -119.2 137.3 53.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.742 ' O ' HG22 ' A' ' 57' ' ' ILE . 4.6 mp -136.78 141.36 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.515 ' HE3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -132.97 99.65 14.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.548 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -75.06 128.54 11.51 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.482 1.78 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.7 154.22 47.37 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.56 1.162 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -58.54 -39.76 81.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -68.27 -67.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 110.326 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.96 -175.31 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.385 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.817 HD11 HG22 ' A' ' 104' ' ' THR . 1.1 pt -127.02 152.31 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.799 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -132.46 154.81 49.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.578 1.173 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 24' ' ' ARG . 10.3 m -125.36 141.66 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -132.8 112.62 12.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.3 p -104.78 142.15 35.22 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.151 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -79.71 -85.85 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.57 1.169 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.14 112.62 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 110.898 -179.922 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ALA . 12.1 m-20 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.575 ' HA ' HG22 ' A' ' 92' ' ' VAL . 5.6 mttt -49.56 -28.46 5.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.467 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.3 OUTLIER -76.22 -35.24 59.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -71.68 -52.1 19.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' A' ' 89' ' ' LYS . 33.0 m -57.59 -44.51 85.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.379 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.69 -36.81 77.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.408 1.068 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -62.89 -36.06 82.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -85.94 -39.69 16.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.44 ' CE2' HG13 ' A' ' 100' ' ' ILE . 60.0 t80 -62.13 -31.54 72.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 0.8 OUTLIER -70.23 -38.79 75.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.22 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -62.08 -39.72 93.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.333 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.662 ' CE1' HD22 ' A' ' 103' ' ' LEU . 21.5 t80 -67.91 -52.04 40.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.597 HG21 ' CE2' ' A' ' 26' ' ' TYR . 20.3 mm -65.23 -51.14 68.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 97' ' ' ASN . 45.9 tt0 -48.03 -32.72 6.99 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -83.03 -29.26 29.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.662 HD22 ' CE1' ' A' ' 99' ' ' PHE . 2.3 mp -81.74 -17.29 48.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.817 HG22 HD11 ' A' ' 76' ' ' ILE . 21.2 p -107.23 -42.29 4.89 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.583 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 90.06 -28.98 6.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.523 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 10.0 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.6 ttp . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.572 0.225 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -96.83 154.19 17.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.459 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 2.1 mt-10 -119.53 134.56 55.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.655 ' CE2' HG21 ' A' ' 100' ' ' ILE . 25.0 m-85 -124.95 143.61 44.49 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HG2' ' CD2' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.02 172.12 16.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.77 . . . . 0.0 111.06 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.46 HG21 ' HB ' ' A' ' 34' ' ' THR . 7.6 p -120.61 117.88 54.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -65.17 145.06 56.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -63.97 104.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.73 -45.06 1.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 3.5 m-85 -44.67 160.25 0.24 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.76 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 128.11 11.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 34' ' ' THR . 3.5 t -134.93 30.2 3.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.623 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -123.85 150.23 44.82 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.466 1.104 . . . . 0.0 109.382 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.538 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 13.8 m-85 -52.47 -55.35 22.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -64.26 -51.54 63.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.46 ' HB2' ' CB ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -50.08 -49.26 52.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 35' ' ' ASP . 9.2 mt -64.53 -42.23 94.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.482 ' CD ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -51.22 -49.06 61.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.3 mpt_? -55.64 -43.56 76.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -45.88 90.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.399 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.814 HG21 HG13 ' A' ' 50' ' ' VAL . 9.0 mt -60.21 -54.17 38.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.142 . . . . 0.0 109.22 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.8 t -67.12 -24.15 65.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -71.88 -41.74 67.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.062 HD11 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -77.3 -16.84 58.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.39 34.46 5.82 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 1.062 ' CE1' HD11 ' A' ' 46' ' ' LEU . 2.4 m-30 -104.47 142.88 33.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 0.808 . . . . 0.0 111.064 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 60' ' ' SER . 0.3 OUTLIER -77.67 147.15 35.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.391 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.814 HG13 HG21 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -148.97 140.24 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.247 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.17 146.3 49.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -110.32 104.22 12.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.93 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -123.87 121.49 35.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.83 -119.52 11.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.594 1.184 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.47 ' C ' HD23 ' A' ' 56' ' ' LEU . 61.4 m-20 -120.53 -3.22 9.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.576 0.809 . . . . 0.0 109.215 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.512 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.7 mt -95.52 158.32 15.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.528 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -108.36 141.06 24.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 0.0 109.354 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.491 ' O ' HG12 ' A' ' 50' ' ' VAL . 18.4 mm -119.46 127.1 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.624 1.203 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -111.07 135.23 51.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.087 . . . . 0.0 109.364 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.474 ' HB3' ' CB ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -112.1 120.21 41.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.021 HD11 HD12 ' A' ' 64' ' ' ILE . 6.5 pt -128.02 159.96 64.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 128.98 11.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.0 -24.99 29.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 1.021 HD12 HD11 ' A' ' 61' ' ' ILE . 30.2 mt -107.09 147.66 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -78.75 -62.46 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.23 143.11 19.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.615 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.76 146.79 25.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.686 ' C ' HD12 ' A' ' 69' ' ' ILE . 5.3 mt-10 -110.45 137.16 48.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.826 HG13 HG13 ' A' ' 78' ' ' VAL . 2.3 mp -122.47 144.83 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -138.65 89.38 13.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.234 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.538 ' HG2' ' CD1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -75.09 128.2 11.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.66 153.76 48.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -54.28 -40.13 67.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -69.45 -68.96 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.13 -177.58 6.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.602 1.189 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.755 ' C ' HD13 ' A' ' 77' ' ' LEU . 1.5 pt -127.25 153.79 36.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.402 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.799 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.11 154.26 50.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.826 HG13 HG13 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -132.9 147.33 31.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.355 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -126.66 123.98 38.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.4 p -100.01 148.91 24.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.411 1.07 . . . . 0.0 110.433 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.65 -108.37 1.95 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.562 1.164 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -128.38 117.46 21.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 0.0 109.392 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.788 ' OH ' HD11 ' A' ' 64' ' ' ILE . 3.2 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.45 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 31.9 m-20 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.894 ' O ' HG23 ' A' ' 93' ' ' VAL . 4.0 pttt -56.52 -28.86 61.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 mp -75.67 -35.84 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -61.95 -51.65 67.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.03 -35.42 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.7 t -51.62 -32.12 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.378 1.049 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -29.13 66.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.235 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -86.09 -40.06 16.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -65.12 -35.13 80.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 2.4 m-80 -74.46 -34.54 63.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.355 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -63.87 -32.31 73.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.483 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 31.2 t80 -75.22 -52.11 11.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.655 HG21 ' CE2' ' A' ' 26' ' ' TYR . 22.1 mm -67.15 -45.88 85.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 97' ' ' ASN . 3.0 tm-20 -50.13 -32.45 15.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -23.99 22.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.398 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.483 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -81.94 -22.54 36.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.487 HG21 ' HB3' ' A' ' 26' ' ' TYR . 65.3 p -114.12 -46.45 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.367 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 100.09 -32.04 7.76 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.609 1.193 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.533 ' CD2' ' HG2' ' A' ' 27' ' ' PRO . 51.5 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.971 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.9 ttm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.449 0.166 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -108.2 143.91 36.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.449 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 1.7 mt-10 -97.51 134.42 40.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.369 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CD2' HG23 ' A' ' 78' ' ' VAL . 22.1 m-85 -113.21 146.67 35.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 110.947 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 26' ' ' TYR . 18.4 Cg_endo -74.92 165.89 30.4 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.479 1.778 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.723 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.5 t -119.27 139.65 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -84.1 144.94 28.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -72.03 110.58 6.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.58 -35.74 3.75 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.54 1.15 . . . . 0.0 111.045 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 4.5 m-85 -55.71 159.01 5.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.24 28.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.5 p -136.01 27.79 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.98 143.13 45.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.549 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 9.7 m-85 -51.18 -55.36 18.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.67 -49.1 73.84 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.05 -50.75 58.02 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.508 1.13 . . . . 0.0 110.069 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.663 HG23 HD21 ' A' ' 103' ' ' LEU . 11.6 mt -65.96 -39.89 85.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.682 ' CG ' HG21 ' A' ' 50' ' ' VAL . 14.3 mtpt -52.89 -40.92 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.7 mpt_? -75.0 -32.75 61.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.654 ' HG2' HD12 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -66.29 -39.31 89.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.835 ' HA ' HD23 ' A' ' 46' ' ' LEU . 31.9 mt -64.83 -52.46 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.8 t -67.91 -32.25 72.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.048 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.4 mm-40 -61.82 -24.4 66.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.071 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -91.83 -24.47 19.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.351 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.84 31.18 2.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.452 1.095 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 1.071 ' CE2' HD11 ' A' ' 46' ' ' LEU . 12.4 m-30 -119.1 174.93 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.975 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.46 161.52 17.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.178 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.682 HG21 ' CG ' ' A' ' 40' ' ' LYS . 1.4 p -135.37 127.26 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -112.09 144.33 41.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 m -111.07 116.54 31.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.86 93.86 4.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.563 1.165 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.3 -107.65 2.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.542 ' C ' HD23 ' A' ' 56' ' ' LEU . 33.3 m-20 -121.52 -0.04 9.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.244 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.572 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.4 mt -97.47 158.82 15.28 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.549 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.2 tt -106.38 138.76 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.364 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 11.1 mm -117.75 142.62 31.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.57 1.168 . . . . 0.0 109.259 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.71 142.93 46.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.72 108.57 18.49 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.004 HD11 HD12 ' A' ' 64' ' ' ILE . 8.9 pt -132.29 152.27 79.8 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 136.01 19.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.584 1.834 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.53 -25.66 27.01 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.563 1.164 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 1.004 HD12 HD11 ' A' ' 61' ' ' ILE . 18.9 mt -107.62 141.86 21.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -76.75 -62.66 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.959 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -155.1 139.97 17.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.65 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -136.32 151.44 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.606 ' C ' HD12 ' A' ' 69' ' ' ILE . 4.1 mt-10 -116.23 135.74 53.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.748 HG13 HG13 ' A' ' 78' ' ' VAL . 2.5 mp -121.71 144.72 29.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HE3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -138.29 93.48 11.44 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 36' ' ' TYR . 18.4 Cg_endo -74.93 126.68 10.17 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.83 150.76 52.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -55.59 -39.96 71.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -68.31 -68.91 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.248 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.85 -173.27 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.374 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.879 ' C ' HD13 ' A' ' 77' ' ' LEU . 4.8 pt -130.8 163.33 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.879 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -148.93 153.36 37.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.748 HG13 HG13 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -133.01 147.2 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -126.49 118.26 24.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.1 p -102.57 139.87 37.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.95 -99.62 0.75 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -129.07 146.34 51.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 109.357 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.652 ' OH ' HD11 ' A' ' 64' ' ' ILE . 3.8 m-30 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.634 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 48.1 m-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.536 ' HA ' HG22 ' A' ' 92' ' ' VAL . 9.3 mtmt -50.76 -28.8 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.06 -36.43 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.184 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -74.86 -51.63 13.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 88' ' ' ASP . 2.5 m -56.47 -27.91 25.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.7 t -72.03 -36.41 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.244 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.462 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -64.41 -27.8 69.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.453 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 2.5 m -86.8 -34.55 19.52 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.462 ' CD1' ' CD1' ' A' ' 64' ' ' ILE . 44.1 t80 -73.79 -35.04 64.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -41.72 70.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.0 -32.66 74.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.654 ' CE1' HD22 ' A' ' 103' ' ' LEU . 2.9 t80 -67.05 -45.95 75.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.447 ' O ' HG23 ' A' ' 104' ' ' THR . 10.1 mm -78.04 -36.04 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.466 ' O ' ' CA ' ' A' ' 105' ' ' GLY . 22.5 tt0 -56.0 -34.05 65.44 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.418 1.074 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -90.48 -15.15 31.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.382 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.663 HD21 HG23 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -88.82 -27.31 21.17 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.603 HG22 HD11 ' A' ' 76' ' ' ILE . 22.0 p -115.55 -32.21 5.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.428 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 101' ' ' GLU . . . 97.51 -37.3 3.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.583 1.177 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.486 0.756 . . . . 0.0 111.031 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -119.59 125.31 48.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -98.37 123.9 42.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 53.6 m-85 -115.4 146.25 36.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 26' ' ' TYR . 18.1 Cg_endo -75.01 173.48 14.43 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.619 1.852 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.76 ' CG2' HG23 ' A' ' 76' ' ' ILE . 4.0 t -125.7 135.41 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.554 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -81.84 147.07 29.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 10.9 mtpt -70.55 106.35 3.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.05 -47.19 1.05 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 104' ' ' THR . 3.8 m-85 -40.77 159.97 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.803 . . . . 0.0 111.069 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 137.03 21.16 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.453 1.765 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 p -137.25 32.38 2.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.396 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.03 148.98 44.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.633 1.208 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.558 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 7.3 m-85 -55.6 -54.23 46.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -51.68 68.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.98 -52.86 30.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.055 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.965 HG22 HD11 ' A' ' 43' ' ' ILE . 50.8 mt -64.14 -38.58 82.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.534 ' HG2' HG11 ' A' ' 50' ' ' VAL . 16.4 mttm -56.07 -40.82 74.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.472 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.9 mpt_? -74.88 -38.81 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -36.9 85.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.965 HD11 HG22 ' A' ' 39' ' ' ILE . 22.4 mt -66.26 -50.86 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 t -71.3 -24.74 62.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.8 mm-40 -77.65 -23.39 49.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.348 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.924 HD21 ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.13 -23.53 22.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.59 23.46 5.06 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.924 ' CD2' HD21 ' A' ' 46' ' ' LEU . 10.5 m-30 -112.11 171.95 7.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 0.779 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.467 ' CB ' ' HB2' ' A' ' 60' ' ' SER . 0.2 OUTLIER -114.55 161.77 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.534 HG11 ' HG2' ' A' ' 40' ' ' LYS . 2.5 p -141.83 130.48 22.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -114.05 144.59 42.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.612 1.195 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.2 p -101.99 99.99 10.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.79 90.83 3.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.75 -110.8 3.14 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.481 ' C ' HD23 ' A' ' 56' ' ' LEU . 30.6 m-20 -114.67 -4.45 12.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 0.72 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.544 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.2 mt -95.39 160.53 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.535 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.2 tt -108.38 140.3 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 12.7 mm -117.31 130.97 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.48 141.04 36.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.467 ' HB2' ' CB ' ' A' ' 49' ' ' ASP . 2.7 m -112.34 103.91 12.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.047 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.856 HD11 HD13 ' A' ' 64' ' ' ILE . 8.0 pt -121.51 154.56 59.66 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.81 20.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.426 1.75 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.55 -25.42 26.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.578 1.174 . . . . 0.0 111.029 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.856 HD13 HD11 ' A' ' 61' ' ' ILE . 2.3 mp -107.44 150.64 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.394 0.702 . . . . 0.0 109.355 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.9 m -81.96 -62.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.032 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -155.24 141.89 18.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.603 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.69 150.4 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.8 mt-10 -107.79 137.28 46.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.544 HD13 HG13 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -118.48 140.74 40.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.459 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -135.24 88.29 26.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.558 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.4 Cg_endo -74.96 127.5 10.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.58 1.831 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -131.34 149.41 52.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 109.273 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -56.96 -35.27 68.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.68 -63.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.259 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 1.0 OUTLIER -153.78 178.28 10.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.187 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.89 ' C ' HD13 ' A' ' 77' ' ' LEU . 4.2 pt -126.25 158.53 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.89 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -144.78 154.1 42.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.544 HG13 HD13 ' A' ' 69' ' ' ILE . 3.4 t -132.74 149.53 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.393 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -133.52 130.2 38.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.4 p -110.48 163.97 13.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -110.82 -76.06 0.83 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -146.14 138.93 25.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.431 ' HB3' ' CG ' ' A' ' 89' ' ' LYS . 2.9 m-85 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.592 1.183 . . . . 0.0 110.967 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.418 ' O ' HG13 ' A' ' 92' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.798 ' O ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -52.82 -28.66 23.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.202 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.62 -32.28 69.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.11 -50.17 17.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' A' ' 89' ' ' LYS . 1.6 m -63.41 -26.69 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.3 t -62.89 -37.65 79.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 95' ' ' THR . 1.6 ppt_? -68.62 -25.02 64.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.468 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 2.9 m -86.43 -31.78 21.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -74.46 -43.07 57.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.403 1.065 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.9 -39.74 87.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -36.7 84.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 109.366 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.51 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 15.7 t80 -65.29 -51.52 60.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 104' ' ' THR . 46.7 mm -70.46 -39.35 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 105' ' ' GLY . 34.8 tt0 -55.13 -35.07 64.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.03 -25.15 23.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.51 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 1.6 mp -80.61 -18.99 46.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.579 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 74.6 p -115.14 -46.74 2.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.569 ' HA3' ' CZ ' ' A' ' 32' ' ' PHE . . . 107.27 -36.06 4.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.574 1.171 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 111.071 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.9 ttp . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.454 0.169 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.7 148.13 30.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -108.41 128.55 54.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.673 ' CE2' HG21 ' A' ' 100' ' ' ILE . 31.2 m-85 -118.46 144.89 36.12 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.454 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 167.04 27.93 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -117.66 144.18 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -90.0 145.72 24.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -66.77 99.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.372 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.42 -39.32 2.32 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 2.1 m-85 -50.34 161.65 0.59 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 128.51 11.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 34' ' ' THR . 6.7 t -138.38 30.93 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.413 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.03 147.55 50.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.569 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 9.9 m-85 -48.0 -53.79 15.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -60.95 -51.62 68.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -52.8 37.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.812 HG22 HD11 ' A' ' 43' ' ' ILE . 67.8 mt -64.87 -36.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.536 ' HG2' HG21 ' A' ' 50' ' ' VAL . 3.8 mtmt -56.27 -40.38 74.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.239 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.4 mpt_? -76.9 -35.71 57.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -35.26 79.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.9 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.0 mt -65.46 -52.42 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 t -70.51 -34.94 72.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.7 mm-40 -63.6 -25.01 68.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.055 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -86.39 -26.03 24.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.72 29.16 2.96 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.609 1.193 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 1.055 ' CE2' HD11 ' A' ' 46' ' ' LEU . 14.7 m-30 -119.76 176.17 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.806 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.89 162.19 18.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.536 HG21 ' HG2' ' A' ' 40' ' ' LYS . 1.4 p -139.9 133.73 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.067 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -110.75 143.73 40.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.0 p -104.22 102.54 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.946 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.57 96.17 6.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.398 1.061 . . . . 0.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.09 -108.31 2.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.557 ' C ' HD23 ' A' ' 56' ' ' LEU . 25.1 m-20 -117.27 -1.62 11.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.771 HD12 ' OE2' ' A' ' 68' ' ' GLU . 2.7 mt -96.41 154.64 17.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.556 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.5 tt -106.64 138.09 34.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 36.9 mm -117.69 136.81 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.524 ' HB3' ' CG1' ' A' ' 67' ' ' ILE . . . -104.47 139.12 39.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.32 96.28 6.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.074 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.828 HD11 HD12 ' A' ' 64' ' ' ILE . 16.8 pt -121.81 153.03 60.03 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 136.3 20.23 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.523 1.802 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.407 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 99.54 -25.14 29.41 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.828 HD12 HD11 ' A' ' 61' ' ' ILE . 4.3 mt -107.02 162.25 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.41 0.712 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.439 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 31.7 t -96.54 -62.51 1.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.33 135.49 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 110.218 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.524 ' CG1' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -134.56 148.55 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.771 ' OE2' HD12 ' A' ' 56' ' ' LEU . 5.3 mt-10 -108.38 136.57 47.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.474 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -119.37 138.52 49.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -133.05 88.46 36.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -74.9 132.57 15.71 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.17 148.71 46.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -55.57 -43.26 75.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -64.31 0.9 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.748 ' CE ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -150.53 -166.49 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.77 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.0 pt -141.04 155.21 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.804 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -140.21 153.48 46.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.401 1.063 . . . . 0.0 109.284 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.512 HG23 ' CD2' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -133.2 147.2 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.437 ' OD1' ' CB ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -134.89 127.77 31.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.408 ' HA ' HG22 ' A' ' 67' ' ' ILE . 69.5 p -97.53 145.92 25.77 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.457 1.098 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -100.2 -100.02 2.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -115.82 113.73 23.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.594 0.82 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 111.011 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.519 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 8.7 m-20 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.531 ' HA ' HG22 ' A' ' 92' ' ' VAL . 0.2 OUTLIER -49.91 -29.07 7.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.03 -34.8 59.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.519 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -73.08 -51.12 19.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.531 HG22 ' HA ' ' A' ' 89' ' ' LYS . 4.9 m -59.16 -33.37 50.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.9 t -72.7 -44.71 59.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -63.16 -27.35 69.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 16.7 m -86.66 -26.51 24.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.375 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -78.49 -34.55 47.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 93' ' ' VAL . 4.5 m120 -73.01 -41.43 64.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.185 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.64 -37.83 82.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.547 ' CE2' HD22 ' A' ' 103' ' ' LEU . 39.6 t80 -67.12 -48.04 69.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.673 HG21 ' CE2' ' A' ' 26' ' ' TYR . 50.0 mm -70.41 -38.27 73.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.615 1.197 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -54.82 -32.67 60.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.55 -22.51 28.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.547 HD22 ' CE2' ' A' ' 99' ' ' PHE . 5.7 mp -89.16 -13.31 38.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.374 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 100' ' ' ILE . 81.7 p -113.86 -48.79 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.596 1.185 . . . . 0.0 110.454 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.569 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 81.86 3.22 90.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.578 1.174 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.454 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 5.7 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.812 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.545 ' HE2' ' HB2' ' A' ' 77' ' ' LEU . 7.7 ttt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.503 0.192 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.42 132.47 53.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -87.6 140.38 29.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.297 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.699 ' CD2' HG21 ' A' ' 100' ' ' ILE . 23.4 m-85 -116.92 142.55 30.0 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 26' ' ' TYR . 18.5 Cg_endo -74.94 172.22 16.78 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.444 1.76 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.439 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.1 t -123.41 140.82 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 2.0 tpmt? -99.38 146.45 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 3.7 mptt -64.98 112.15 3.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.24 28.91 2.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 29' ' ' LYS . 17.0 m-85 -131.02 155.0 82.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 138.24 22.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 p -133.84 31.69 3.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.16 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.89 149.64 49.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.161 . . . . 0.0 109.216 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 10.9 m-85 -53.3 -55.31 25.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.572 1.17 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -50.25 74.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 1.086 . . . . 0.0 109.357 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -50.0 -52.96 29.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.058 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.953 HG22 HD11 ' A' ' 43' ' ' ILE . 52.5 mt -64.8 -40.07 87.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.811 ' HG2' HG21 ' A' ' 50' ' ' VAL . 1.6 mtmt -50.11 -37.2 32.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.1 mpt_? -77.44 -39.8 45.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.203 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -63.18 -33.88 76.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.953 HD11 HG22 ' A' ' 39' ' ' ILE . 11.2 mt -69.61 -55.17 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -68.09 -24.08 65.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.2 mm-40 -70.7 -19.98 62.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.821 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -98.11 -21.54 16.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.15 27.85 3.54 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.491 1.119 . . . . 0.0 111.06 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.773 ' CZ ' HD11 ' A' ' 46' ' ' LEU . 9.3 m-30 -113.76 172.11 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.07 161.71 18.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.811 HG21 ' HG2' ' A' ' 40' ' ' LYS . 1.9 p -142.15 127.51 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.608 ' N ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -103.44 142.69 33.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -106.19 88.52 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.956 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -94.78 103.95 15.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.97 -104.88 0.73 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.608 ' C ' HD23 ' A' ' 56' ' ' LEU . 6.5 m-20 -118.61 -0.05 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.608 HD23 ' C ' ' A' ' 55' ' ' ASP . 2.6 mt -99.96 154.83 18.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -115.19 135.03 56.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.478 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 34.1 mm -115.08 131.32 67.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.62 140.55 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.8 t -108.79 104.63 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.904 HD11 HD13 ' A' ' 64' ' ' ILE . 11.0 pt -126.21 152.94 74.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.74 16.97 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.771 . . . . 0.0 111.062 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.56 -25.91 26.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.09 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.904 HD13 HD11 ' A' ' 61' ' ' ILE . 3.1 mp -107.97 148.89 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.736 . . . . 0.0 109.231 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -81.41 -62.71 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -155.12 139.27 16.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.654 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -136.58 152.77 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.478 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 8.3 mt-10 -107.07 135.95 47.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.602 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -121.0 136.9 56.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.474 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.02 88.9 17.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.604 1.19 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.564 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -75.02 130.83 13.62 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.458 1.767 . . . . 0.0 111.066 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.53 148.58 49.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -49.98 -40.13 43.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.74 -67.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.15 -168.46 3.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.07 . . . . 0.0 109.254 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.824 ' C ' HD13 ' A' ' 77' ' ' LEU . 2.7 pt -134.69 158.88 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.824 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -141.32 154.49 45.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.381 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.574 HG13 HD13 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -132.59 147.18 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -129.02 123.99 33.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.442 ' HA ' HG22 ' A' ' 67' ' ' ILE . 75.7 p -97.99 151.69 20.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.46 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.12 -88.21 1.42 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -119.49 119.16 33.04 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.471 0.748 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.591 1.182 . . . . 0.0 111.009 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 91' ' ' ALA . 7.2 m-20 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.848 ' O ' HG23 ' A' ' 93' ' ' VAL . 2.6 pttt -49.42 -24.82 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.06 -37.13 58.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -73.72 -50.56 20.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.648 HG22 ' HA ' ' A' ' 89' ' ' LYS . 5.0 m -58.35 -32.49 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.637 1.211 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.0 t -52.46 -33.15 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.463 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -66.82 -29.58 69.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.6 m -84.6 -32.47 23.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -74.37 -36.75 63.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.75 -40.63 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.16 -38.29 82.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.275 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.636 ' CE1' HD22 ' A' ' 103' ' ' LEU . 29.3 t80 -64.04 -43.88 94.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.699 HG21 ' CD2' ' A' ' 26' ' ' TYR . 21.5 mm -75.49 -37.72 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -54.97 -34.51 63.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.352 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.62 -17.12 29.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.378 1.049 . . . . 0.0 109.338 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.636 HD22 ' CE1' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -90.05 -16.55 29.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 100' ' ' ILE . 47.4 p -122.72 -42.81 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 32' ' ' PHE . . . 102.42 -33.85 6.21 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.566 ' CE1' ' HE3' ' A' ' 29' ' ' LYS . 31.3 m-85 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.45 0.735 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.5 ttp . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.443 0.163 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -113.12 138.4 49.99 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.538 1.149 . . . . 0.0 110.198 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -100.09 134.62 42.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' HG23 ' A' ' 78' ' ' VAL . 16.0 m-85 -121.98 143.3 38.39 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 175.08 11.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.4 p -130.14 139.94 50.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.602 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -85.8 146.66 26.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -69.12 116.53 9.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.371 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.12 -27.03 8.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.602 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 5.6 m-85 -66.02 160.56 62.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.394 0.702 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 131.26 14.08 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.463 ' O ' HG22 ' A' ' 34' ' ' THR . 1.1 m -125.85 5.29 7.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -96.88 139.73 32.49 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.485 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.9 m-85 -48.32 -55.04 11.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.611 1.194 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -45.51 88.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.6 m -52.84 -45.87 67.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.547 ' CG2' HD21 ' A' ' 103' ' ' LEU . 13.6 mt -69.43 -37.32 74.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.635 1.21 . . . . 0.0 109.355 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.51 -36.42 61.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 109.361 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.1 mpt_? -77.26 -33.39 55.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -65.84 -43.23 89.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.8 ' HA ' HD23 ' A' ' 46' ' ' LEU . 20.0 mt -61.35 -54.49 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.0 t -65.54 -34.17 77.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.943 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -58.1 -36.13 72.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.042 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -80.67 -25.86 37.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.77 34.61 1.67 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.432 1.082 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 1.042 ' CE2' HD11 ' A' ' 46' ' ' LEU . 10.8 m-30 -119.97 172.39 7.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.759 . . . . 0.0 111.046 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.71 161.09 16.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.11 129.32 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.632 1.208 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -113.35 146.6 39.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.5 p -104.08 114.59 28.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.932 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -111.98 95.48 5.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.36 -102.24 0.65 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.449 1.093 . . . . 0.0 111.041 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.524 ' C ' HD23 ' A' ' 56' ' ' LEU . 11.7 m-20 -118.6 -1.43 11.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 109.379 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.539 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.5 mt -97.73 159.15 15.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.485 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -107.57 139.33 29.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.157 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 10.2 mm -119.19 137.99 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.66 144.09 36.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.225 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.5 104.47 12.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.079 HD11 HD12 ' A' ' 64' ' ' ILE . 9.2 pt -129.87 146.9 63.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.366 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 61' ' ' ILE . 18.5 Cg_endo -74.98 137.43 21.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.437 1.756 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.495 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 100.13 -24.46 32.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 1.079 HD12 HD11 ' A' ' 61' ' ' ILE . 5.7 mt -106.49 159.77 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.42 0.718 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.1 t -92.37 -62.33 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 110.029 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.02 139.91 17.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.511 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.07 144.13 31.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.578 ' C ' HD12 ' A' ' 69' ' ' ILE . 7.2 mt-10 -114.31 138.26 50.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.601 1.188 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.69 HG13 HG13 ' A' ' 78' ' ' VAL . 2.6 mp -123.84 144.18 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.452 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -136.87 92.2 14.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.463 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.0 Cg_endo -75.06 127.21 10.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.31 149.95 50.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.403 1.064 . . . . 0.0 109.383 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -52.57 -29.01 23.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.396 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -79.1 -65.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.11 -166.66 2.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.874 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.8 pt -134.57 157.32 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.874 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -142.2 154.14 44.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.69 HG13 HG13 ' A' ' 69' ' ' ILE . 0.7 OUTLIER -133.22 148.27 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -131.44 122.74 26.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 47.0 p -101.49 144.91 29.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.437 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.85 -95.17 0.49 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -143.31 106.43 4.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.508 0.769 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.421 ' CD2' HG21 ' A' ' 92' ' ' VAL . 4.5 m-30 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.474 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 3.1 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.53 ' HA ' HG22 ' A' ' 92' ' ' VAL . 10.2 mttp -49.13 -28.5 4.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.478 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.2 OUTLIER -76.41 -36.72 57.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.176 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.474 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -69.24 -51.87 33.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 109.212 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 89' ' ' LYS . 35.6 m -56.99 -52.52 54.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.511 ' N ' HG23 ' A' ' 92' ' ' VAL . 3.5 t -55.69 -40.35 59.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 90' ' ' LEU . 9.3 mmt85 -62.44 -32.88 73.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.0 m -85.34 -40.16 16.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.406 ' CE1' HG13 ' A' ' 100' ' ' ILE . 29.5 t80 -65.41 -41.82 93.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.157 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -63.34 -40.88 98.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -59.77 -36.08 75.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.681 ' CE1' HD22 ' A' ' 103' ' ' LEU . 2.9 t80 -74.75 -47.15 32.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.504 HD12 HG21 ' A' ' 78' ' ' VAL . 33.7 mm -66.04 -49.46 76.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -50.59 -31.32 15.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -83.27 -24.91 32.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.681 HD22 ' CE1' ' A' ' 99' ' ' PHE . 1.9 mp -90.0 -13.54 35.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 100' ' ' ILE . 38.2 p -111.61 -34.1 6.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.583 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 65.48 9.32 43.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 3.0 m-85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' A' ' 78' ' ' VAL . 23.0 ttm . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.563 0.22 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.52 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -96.95 139.66 32.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 110.238 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -93.37 163.92 13.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.61 ' HD2' HG13 ' A' ' 78' ' ' VAL . 46.9 m-85 -163.28 137.93 4.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.6 Cg_endo -74.9 168.93 23.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.7 p -125.39 145.3 32.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -89.15 147.0 24.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.366 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 15.7 tttm -73.7 100.42 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.64 -39.54 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.594 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 2.1 m-85 -46.2 167.0 0.15 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.497 0.763 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.425 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.1 Cg_endo -75.08 130.31 13.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.4 p -130.17 21.82 5.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.47 141.98 48.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.567 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.0 m-85 -47.57 -56.27 7.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -56.67 -46.29 81.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.425 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 3.0 m -55.88 -50.24 71.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.471 ' CG2' HD21 ' A' ' 103' ' ' LEU . 56.3 mt -68.17 -33.62 61.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.374 1.047 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.898 ' HG3' HG21 ' A' ' 50' ' ' VAL . 3.1 mtpt -56.99 -42.52 80.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.16 . . . . 0.0 109.338 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.3 mpt_? -71.35 -32.11 68.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -64.53 -40.58 95.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.845 ' HA ' HD23 ' A' ' 46' ' ' LEU . 17.8 mt -61.72 -55.21 25.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.415 1.072 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 t -66.55 -34.4 77.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 110.058 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 2.0 mm-40 -64.08 -26.52 68.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 0.0 110.313 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.909 HD21 ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.6 -21.85 22.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.079 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.66 25.33 5.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.373 1.046 . . . . 0.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.909 ' CD2' HD21 ' A' ' 46' ' ' LEU . 10.7 m-30 -113.7 177.82 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.23 160.28 23.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.898 HG21 ' HG3' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -138.4 137.04 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -113.99 144.33 43.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -99.91 99.52 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -108.29 115.8 30.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 52.39 -109.06 0.79 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.589 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -121.52 3.78 10.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.798 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.691 HD12 ' OE2' ' A' ' 68' ' ' GLU . 2.6 mt -99.47 157.67 16.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.567 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.7 OUTLIER -103.16 133.98 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.078 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.803 HG21 ' HD3' ' A' ' 66' ' ' ARG . 24.0 mm -114.19 127.42 71.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.0 133.85 49.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.387 1.054 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 t -102.7 112.52 25.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 110.049 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.896 HD11 HD13 ' A' ' 64' ' ' ILE . 8.7 pt -133.37 153.9 80.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.78 22.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.46 -26.74 22.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.896 HD13 HD11 ' A' ' 61' ' ' ILE . 3.1 mp -108.56 156.49 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -89.63 -61.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.803 ' HD3' HG21 ' A' ' 58' ' ' ILE . 2.1 mtm-85 -154.7 135.67 13.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.708 HD12 HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -133.24 153.58 37.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.691 ' OE2' HD12 ' A' ' 56' ' ' LEU . 4.7 mt-10 -115.58 137.46 52.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.589 HD13 ' C ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -120.95 143.43 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.417 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 2.5 mppt? -137.89 92.19 12.89 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HG3' HD12 ' A' ' 39' ' ' ILE . 18.0 Cg_endo -75.05 138.33 22.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.86 148.67 37.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -63.32 -18.45 63.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -90.39 -65.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.75 -175.19 4.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.982 HD11 HG22 ' A' ' 104' ' ' THR . 1.3 pt -132.57 150.75 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.841 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.08 156.53 48.59 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.61 HG13 ' HD2' ' A' ' 26' ' ' TYR . 4.3 m -126.27 143.8 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -136.77 111.89 9.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.2 p -94.72 168.28 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.09 -72.89 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -134.54 133.75 40.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.532 ' CE2' HG23 ' A' ' 92' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.464 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 1.8 m-20 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.876 ' O ' HG23 ' A' ' 93' ' ' VAL . 24.3 mttm -48.44 -45.46 36.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.597 1.186 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.9 -27.2 68.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.263 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -75.77 -51.27 13.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.532 HG23 ' CE2' ' A' ' 83' ' ' TYR . 4.7 m -69.02 -21.72 25.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.2 t -57.32 -41.07 77.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.499 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -64.68 -26.88 68.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.1 m -86.57 -30.48 21.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.529 ' HB2' HD11 ' A' ' 64' ' ' ILE . 47.9 t80 -65.89 -49.4 68.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 101' ' ' GLU . 7.9 m-20 -68.55 -37.87 80.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -52.95 -40.89 64.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.658 ' CE1' HD22 ' A' ' 103' ' ' LEU . 13.5 t80 -67.95 -38.66 83.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.909 ' O ' HG23 ' A' ' 104' ' ' THR . 10.7 mm -74.85 -31.12 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -60.39 -35.21 75.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -19.81 33.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.658 HD22 ' CE1' ' A' ' 99' ' ' PHE . 2.5 mp -91.38 -11.8 36.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.982 HG22 HD11 ' A' ' 76' ' ' ILE . 60.7 p -116.3 -42.79 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.594 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 82.52 6.31 88.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.113 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.487 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 6.2 m-85 . . . . . 0 C--N 1.326 -0.414 0 O-C-N 124.546 0.792 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.55 0.214 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -105.1 128.79 53.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.362 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -97.88 128.27 44.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.495 ' HB3' HG21 ' A' ' 104' ' ' THR . 24.4 m-85 -117.14 149.31 44.13 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.531 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.1 Cg_endo -75.07 169.62 22.2 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.909 ' CG2' HG23 ' A' ' 76' ' ' ILE . 15.5 t -129.72 128.59 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.258 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -70.06 144.48 52.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 15.1 mttt -67.37 105.6 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.2 -43.85 1.42 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 2.4 m-85 -42.66 165.77 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.443 0.731 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 131.73 14.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.782 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.477 ' CG2' HG11 ' A' ' 28' ' ' VAL . 38.5 p -135.12 27.34 3.52 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -121.32 148.15 44.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.559 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 9.4 m-85 -55.72 -52.11 65.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.98 -48.02 81.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -56.28 -52.98 62.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.634 1.209 . . . . 0.0 110.063 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.91 HG22 HD11 ' A' ' 43' ' ' ILE . 48.0 mt -64.19 -39.41 85.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.827 ' HG3' HG11 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -50.68 -48.29 58.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.51 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.7 mpt_? -77.18 -29.73 54.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -39.0 90.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.91 HD11 HG22 ' A' ' 39' ' ' ILE . 9.4 mt -66.88 -53.12 37.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -67.79 -26.39 66.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -64.95 -19.18 65.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.074 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -96.42 -21.42 17.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.601 1.188 . . . . 0.0 109.248 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.37 32.57 2.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.404 1.065 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 1.074 ' CE2' HD11 ' A' ' 46' ' ' LEU . 11.2 m-30 -118.78 177.61 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.29 162.39 17.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.827 HG11 ' HG3' ' A' ' 40' ' ' LYS . 2.6 p -138.95 128.99 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -114.36 144.71 42.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 p -102.61 116.2 32.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.938 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -117.59 90.98 3.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.339 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.16 -106.5 1.99 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.435 ' C ' HD23 ' A' ' 56' ' ' LEU . 6.3 m-20 -118.48 -0.71 11.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 0.774 . . . . 0.0 109.233 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.54 HD12 ' OE2' ' A' ' 68' ' ' GLU . 3.8 mt -96.83 160.2 14.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.516 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -105.54 139.63 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 23.6 mm -119.91 132.66 69.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.57 139.64 43.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.57 1.169 . . . . 0.0 109.228 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.15 101.33 10.12 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.443 1.09 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.792 HG22 ' CD2' ' A' ' 48' ' ' PHE . 14.8 pt -122.66 153.21 62.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.57 ' HD3' ' CE1' ' A' ' 48' ' ' PHE . 18.2 Cg_endo -75.03 134.16 17.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.409 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 100.5 -25.46 28.22 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.56 1.163 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.784 HD13 ' CD1' ' A' ' 61' ' ' ILE . 4.0 mp -107.42 151.13 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -86.57 -62.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -155.3 138.32 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.763 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.7 144.33 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.394 1.059 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.813 ' C ' HD12 ' A' ' 69' ' ' ILE . 3.9 mt-10 -106.55 136.79 45.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.92 HG13 HG13 ' A' ' 78' ' ' VAL . 3.0 mp -125.36 141.23 45.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.498 ' HE3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -136.31 93.1 15.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.364 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.559 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.1 Cg_endo -75.01 129.17 12.09 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.802 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.79 149.84 52.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.247 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -52.89 -28.42 23.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.443 ' CD ' ' HE2' ' A' ' 75' ' ' LYS . 7.5 ttm180 -77.87 -67.78 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.443 ' HE2' ' CD ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -153.04 -172.05 4.12 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.604 1.19 . . . . 0.0 109.396 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.909 HG23 ' CG2' ' A' ' 28' ' ' VAL . 7.2 pt -128.39 162.34 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.855 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -149.84 151.17 33.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.544 1.153 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.92 HG13 HG13 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -133.5 146.71 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 3.1 p-10 -136.47 132.86 35.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.636 HG22 HG22 ' A' ' 67' ' ' ILE . 58.3 p -106.75 165.72 11.11 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.416 1.073 . . . . 0.0 110.404 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.78 -82.03 0.9 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.607 1.192 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -130.9 105.73 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 111.046 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.4 m-20 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -49.59 -25.43 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.33 -35.29 58.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -75.37 -51.79 12.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' A' ' 89' ' ' LYS . 4.1 m -54.83 -34.47 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.7 t -58.17 -44.48 87.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.365 1.041 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.9 mmm-85 -63.36 -31.46 72.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.191 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.1 m -85.3 -26.18 26.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.47 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.588 ' HB2' HD11 ' A' ' 64' ' ' ILE . 43.4 t80 -74.49 -55.63 5.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -58.41 -39.02 78.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -54.98 -38.73 68.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 0.0 109.39 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.647 ' CE1' HD22 ' A' ' 103' ' ' LEU . 6.6 t80 -75.75 -38.86 58.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.562 HD12 HG21 ' A' ' 78' ' ' VAL . 15.2 mm -68.96 -52.49 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' GLY . 86.6 mt-10 -49.76 -27.57 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.349 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.43 -27.19 24.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.647 HD22 ' CE1' ' A' ' 99' ' ' PHE . 3.5 mp -89.19 -15.0 34.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.823 HG22 HD11 ' A' ' 76' ' ' ILE . 22.5 p -113.17 -33.74 5.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.472 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.578 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 73.87 2.05 60.46 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.401 1.063 . . . . 0.0 111.059 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.531 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 3.6 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 78' ' ' VAL . 1.2 ttt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.508 0.194 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.6 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -121.44 143.21 49.37 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HG3' ' CE ' ' A' ' 23' ' ' MET . 1.0 OUTLIER -106.28 126.76 52.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.359 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.981 ' CE2' HG21 ' A' ' 100' ' ' ILE . 76.1 m-85 -115.13 143.74 30.83 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.535 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.4 Cg_endo -74.92 -174.5 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.612 1.849 . . . . 0.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.832 HG23 HG23 ' A' ' 76' ' ' ILE . 1.7 t -131.51 142.7 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.581 1.176 . . . . 0.0 109.39 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.522 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -94.47 143.61 26.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -67.41 99.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.7 -43.0 1.36 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 3.2 m-85 -48.37 157.69 0.67 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.446 0.733 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.434 ' CB ' ' HB2' ' A' ' 38' ' ' SER . 18.4 Cg_endo -75.01 136.97 21.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.7 p -128.79 33.15 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.43 162.21 24.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 6.9 m-85 -68.23 -48.6 64.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -52.43 65.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 33' ' ' PRO . 80.8 p -49.93 -52.91 29.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.596 1.185 . . . . 0.0 110.03 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.46 -40.76 89.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 109.409 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.724 ' HG2' HG21 ' A' ' 50' ' ' VAL . 5.6 mtpm? -53.06 -45.38 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' GLU . 1.9 mpt_? -68.7 -35.18 76.84 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.407 1.067 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -64.73 -39.35 93.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.926 ' HA ' HD23 ' A' ' 46' ' ' LEU . 37.0 mt -64.69 -50.32 76.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -71.2 -25.23 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.048 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' ARG . 1.1 mm-40 -77.94 -20.96 51.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.926 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -92.26 -19.76 21.84 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.148 . . . . 0.0 109.371 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.07 21.22 7.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.433 1.083 . . . . 0.0 111.026 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.923 ' CD2' HD21 ' A' ' 46' ' ' LEU . 11.7 m-30 -112.04 178.03 4.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.37 160.9 22.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 0.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.724 HG21 ' HG2' ' A' ' 40' ' ' LYS . 2.4 p -140.4 130.5 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -111.28 144.56 40.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.6 m -107.94 98.66 8.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.952 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -101.54 89.76 3.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.337 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.27 -111.12 3.22 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.507 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -115.8 -1.13 12.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.542 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -96.59 159.79 14.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.661 HD11 ' HG3' ' A' ' 40' ' ' LYS . 1.2 tt -110.36 141.25 26.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.08 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 14.2 mm -124.56 128.55 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.93 135.51 39.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.22 96.8 6.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.821 HG22 ' CD2' ' A' ' 48' ' ' PHE . 10.4 pt -119.43 152.79 53.33 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.185 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.32 16.49 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.441 1.758 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.02 -24.85 30.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.755 HD13 ' CD1' ' A' ' 61' ' ' ILE . 3.4 mp -107.07 148.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.9 t -83.3 -62.23 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 110.048 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.88 141.41 18.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.754 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -141.52 151.38 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.802 ' C ' HD13 ' A' ' 69' ' ' ILE . 8.9 mt-10 -110.22 142.19 42.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.802 HD13 ' C ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -127.31 136.68 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.227 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -138.49 91.25 12.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.53 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.7 Cg_endo -74.94 135.61 19.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -134.4 147.7 50.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.218 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -54.76 -31.61 58.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.159 . . . . 0.0 109.356 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.23 -69.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -146.5 178.94 7.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 1.045 HD11 HG22 ' A' ' 104' ' ' THR . 4.0 pt -124.59 157.82 32.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.822 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -139.12 152.96 47.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 24' ' ' ARG . 4.8 m -123.78 138.74 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -129.27 115.35 17.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.0 p -99.13 173.3 6.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -126.46 -74.56 0.21 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -139.51 135.89 33.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.417 0.716 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.416 1.072 . . . . 0.0 111.01 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.55 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 3.1 m-20 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.478 ' HA ' HG22 ' A' ' 92' ' ' VAL . 22.9 mttp -48.21 -26.55 1.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.422 HD23 HH12 ' A' ' 94' ' ' ARG . 0.4 OUTLIER -77.42 -47.84 18.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -61.34 -52.88 62.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 89' ' ' LYS . 23.3 m -53.43 -44.25 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.61 -37.91 75.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.488 ' HA ' ' ND2' ' A' ' 97' ' ' ASN . 5.8 mmt85 -65.51 -34.82 79.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -85.83 -25.26 26.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.569 ' HB2' HD11 ' A' ' 64' ' ' ILE . 65.1 t80 -80.97 -51.68 8.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.504 ' OD1' ' C ' ' A' ' 97' ' ' ASN . 0.9 OUTLIER -65.96 -37.02 84.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 17.9 t70 -63.91 -39.52 94.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.536 1.147 . . . . 0.0 109.367 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.697 ' CE2' HD22 ' A' ' 103' ' ' LEU . 39.6 t80 -64.94 -48.82 72.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.981 HG21 ' CE2' ' A' ' 26' ' ' TYR . 14.9 mm -65.46 -42.52 93.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -51.98 -35.6 46.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.239 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.36 -28.28 31.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.697 HD22 ' CE2' ' A' ' 99' ' ' PHE . 4.5 mp -81.13 -17.2 50.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.216 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . 1.045 HG22 HD11 ' A' ' 76' ' ' ILE . 66.7 p -108.63 -37.33 5.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.587 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 89.31 -30.11 5.76 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.535 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 4.1 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.438 0.161 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.503 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 3.2 mmp_? -95.98 142.98 27.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.458 1.099 . . . . 0.0 110.147 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.71 123.96 47.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.442 ' CD2' HG21 ' A' ' 100' ' ' ILE . 16.2 m-85 -119.46 146.87 42.14 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.537 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.4 Cg_endo -74.99 170.0 21.39 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.786 HG21 HG22 ' A' ' 34' ' ' THR . 14.9 p -129.27 119.68 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.597 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -60.86 146.14 47.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -70.97 106.98 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 124.32 -45.1 1.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.599 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 3.7 m-85 -42.62 165.28 0.1 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.547 0.793 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.45 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.6 Cg_endo -74.93 130.3 13.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.781 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.786 HG22 HG21 ' A' ' 28' ' ' VAL . 15.5 p -130.22 27.05 5.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -120.84 145.64 47.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 8.6 m-85 -49.97 -54.87 17.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -60.01 -48.86 79.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.45 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 4.6 m -50.44 -52.9 33.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.787 HG22 HD11 ' A' ' 43' ' ' ILE . 55.2 mt -65.01 -37.81 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.682 ' CG ' HG11 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -54.83 -39.36 68.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.3 mpt_? -76.98 -35.58 57.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.595 1.184 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -33.99 76.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.88 ' HA ' HD23 ' A' ' 46' ' ' LEU . 17.9 mt -68.07 -51.39 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -70.99 -31.39 67.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 2.5 mm-40 -66.72 -21.87 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.248 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.048 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.98 -24.7 21.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.97 27.23 3.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.429 1.081 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 1.048 ' CE2' HD11 ' A' ' 46' ' ' LEU . 15.1 m-30 -118.08 177.84 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 111.048 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.2 OUTLIER -116.57 162.01 18.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.682 HG11 ' CG ' ' A' ' 40' ' ' LYS . 2.1 p -142.38 129.3 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -109.43 143.43 39.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.229 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -104.35 102.96 12.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.02 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -104.9 115.11 29.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 53.65 -107.84 0.69 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.473 ' C ' HD23 ' A' ' 56' ' ' LEU . 65.0 m-20 -117.13 -2.18 11.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 0.793 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.53 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -95.69 161.94 13.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.523 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -111.13 143.08 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.324 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.504 ' O ' HG23 ' A' ' 50' ' ' VAL . 7.3 mm -123.68 137.5 56.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.379 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.98 141.93 38.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -111.94 100.72 9.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.684 ' CD1' HD13 ' A' ' 64' ' ' ILE . 11.5 pt -121.07 156.29 57.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.548 ' HD3' ' CE1' ' A' ' 48' ' ' PHE . 18.3 Cg_endo -75.01 131.26 14.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.57 -26.51 24.31 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.134 . . . . 0.0 110.961 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.684 HD13 ' CD1' ' A' ' 61' ' ' ILE . 4.1 mp -108.37 140.75 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.96 -62.74 1.4 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.51 140.93 17.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.673 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -137.32 151.01 26.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.352 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.3 mt-10 -106.64 137.18 45.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.278 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.506 HD13 HG13 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -119.24 138.65 49.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.473 ' CB ' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -135.22 88.35 26.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 134.71 18.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 1.6 t0 -138.59 148.0 43.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -56.41 -30.02 62.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.412 ' N ' ' HG2' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -80.53 -64.89 1.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.276 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -150.64 -174.38 4.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.927 HD11 HG22 ' A' ' 104' ' ' THR . 1.7 pt -134.45 156.8 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.924 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -142.23 155.06 45.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.506 HG13 HD13 ' A' ' 69' ' ' ILE . 2.0 t -133.14 149.05 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -131.94 133.91 45.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.1 p -110.02 138.57 46.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.378 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.24 -93.59 1.8 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.89 110.51 17.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.585 ' O ' HG13 ' A' ' 92' ' ' VAL . 12.1 m-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.952 ' O ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -49.04 -30.17 5.93 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.441 1.088 . . . . 0.0 109.379 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tp -76.37 -34.13 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -75.24 -52.47 10.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.406 1.066 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 88' ' ' ASP . 2.8 m -53.37 -31.24 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.952 HG23 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -55.82 -40.7 63.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.382 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.492 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -62.68 -31.11 71.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 0.0 110.385 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 23.5 m -85.87 -30.54 22.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 1.046 . . . . 0.0 110.353 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.572 ' HB2' HD11 ' A' ' 64' ' ' ILE . 82.4 t80 -68.42 -45.82 71.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.49 -38.55 77.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -55.41 -37.71 67.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.389 1.056 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.543 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 11.1 t80 -72.54 -52.73 14.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.442 HG21 ' CD2' ' A' ' 26' ' ' TYR . 30.7 mm -58.58 -34.38 51.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 105' ' ' GLY . 24.9 tt0 -55.88 -43.14 76.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.233 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.08 -17.83 30.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.073 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.738 HD11 HG23 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -80.22 -28.81 38.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.248 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.927 HG22 HD11 ' A' ' 76' ' ' ILE . 71.6 p -112.38 -34.58 5.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.103 . . . . 0.0 110.386 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.599 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 92.71 -25.48 18.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.537 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 12.4 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.735 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.453 ' HE2' ' HB2' ' A' ' 79' ' ' ASN . 1.9 ttt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.477 0.18 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.491 ' HD2' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -109.78 142.91 40.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 110.335 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.97 124.23 47.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.58 ' HB3' HG21 ' A' ' 104' ' ' THR . 50.1 m-85 -115.91 139.54 25.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.947 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.545 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 164.95 32.32 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.695 ' CG2' HG23 ' A' ' 76' ' ' ILE . 6.7 t -121.37 135.14 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -80.27 143.55 33.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 3.8 ttmt -65.76 107.71 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 121.26 -41.3 1.92 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 2.6 m-85 -47.82 162.35 0.32 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.591 0.818 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.42 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.3 Cg_endo -75.08 131.36 14.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.812 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 p -133.48 26.53 4.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.41 144.43 45.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.573 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 7.7 m-85 -48.84 -54.57 14.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -57.78 -47.09 83.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.381 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.42 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 61.9 m -52.82 -52.89 55.22 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.438 1.087 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.808 HG22 HD11 ' A' ' 43' ' ' ILE . 11.5 mt -64.28 -37.84 80.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.941 ' HG2' HG21 ' A' ' 50' ' ' VAL . 7.7 mttm -53.35 -41.82 66.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -77.24 -32.53 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -66.4 -38.84 88.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.808 HD11 HG22 ' A' ' 39' ' ' ILE . 9.3 mt -63.44 -55.05 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.166 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.9 t -65.77 -34.83 79.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.41 -31.62 66.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.039 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -83.62 -25.26 30.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.77 33.54 1.86 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 1.039 ' CE2' HD11 ' A' ' 46' ' ' LEU . 11.1 m-30 -119.5 178.29 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.5 162.29 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.941 HG21 ' HG2' ' A' ' 40' ' ' LYS . 2.7 p -139.59 129.01 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.389 1.056 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -111.73 144.54 40.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.88 114.53 28.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -114.65 91.6 3.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.51 -104.52 1.38 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.435 1.084 . . . . 0.0 110.976 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.491 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -118.17 -1.71 11.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.756 . . . . 0.0 109.356 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.526 ' N ' HD23 ' A' ' 56' ' ' LEU . 3.0 mt -96.41 158.78 15.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.557 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -107.18 138.42 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.495 HD13 ' HG3' ' A' ' 68' ' ' GLU . 6.3 mm -120.37 137.09 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.469 ' HB3' ' CG1' ' A' ' 67' ' ' ILE . . . -106.14 147.22 29.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.56 106.86 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.026 HD11 HD13 ' A' ' 64' ' ' ILE . 7.1 pt -129.95 152.73 80.44 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 136.17 20.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.414 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 97.61 -26.22 24.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 1.026 HD13 HD11 ' A' ' 61' ' ' ILE . 1.6 mp -108.02 147.25 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.356 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -79.85 -62.19 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.097 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.3 144.57 21.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.562 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -137.32 149.7 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.232 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.602 ' C ' HD12 ' A' ' 69' ' ' ILE . 4.6 mt-10 -115.2 136.6 52.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.205 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.666 HG13 HG13 ' A' ' 78' ' ' VAL . 3.3 mp -128.27 144.59 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.351 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 2.0 mppt? -135.33 91.41 18.96 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -74.91 126.02 9.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.778 . . . . 0.0 111.085 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.4 152.63 48.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -54.01 -36.6 63.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -67.97 0.47 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 1.147 . . . . 0.0 110.234 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.39 -177.92 6.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 109.347 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.838 ' C ' HD13 ' A' ' 77' ' ' LEU . 6.8 pt -125.45 160.2 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.838 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -147.12 152.47 38.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.813 HG21 HD12 ' A' ' 100' ' ' ILE . 3.2 t -133.35 149.18 31.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.453 ' HB2' ' HE2' ' A' ' 23' ' ' MET . 4.6 t-20 -134.48 123.42 23.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.4 p -95.85 133.88 39.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.21 -89.12 0.06 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.528 1.142 . . . . 0.0 111.051 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.76 107.85 4.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 0.732 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.837 ' O ' HG22 ' A' ' 92' ' ' VAL . 13.0 m-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.532 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 2.4 mttt -58.98 -23.05 61.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 94' ' ' ARG . 7.0 mp -77.92 -49.53 14.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -54.67 -54.42 41.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 88' ' ' ASP . 2.6 m -55.12 -42.18 63.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.53 -36.92 77.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' LEU . 9.7 mmt180 -66.82 -39.4 87.68 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.617 1.198 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -83.15 -28.92 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 110.443 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 40.1 t80 -77.53 -34.31 53.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -66.42 -44.74 82.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -56.36 -37.29 69.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.752 ' CE1' HD22 ' A' ' 103' ' ' LEU . 25.7 t80 -69.08 -41.01 78.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.408 1.068 . . . . 0.0 111.029 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.813 HD12 HG21 ' A' ' 78' ' ' VAL . 22.5 mm -73.86 -43.06 53.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.8 OUTLIER -56.32 -32.54 64.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.95 -27.81 26.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.368 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.752 HD22 ' CE1' ' A' ' 99' ' ' PHE . 2.9 mp -83.79 -17.39 41.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.78 HG22 HD11 ' A' ' 76' ' ' ILE . 77.2 p -109.94 -40.91 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.427 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.587 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 87.47 -18.03 40.31 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.577 1.173 . . . . 0.0 111.056 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.545 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 4.0 m-85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.457 0.739 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.473 ' CG ' ' HB2' ' A' ' 79' ' ' ASN . 1.9 ttm . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.503 0.192 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -117.54 158.7 24.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -139.08 119.83 14.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.357 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.49 ' CE2' HG21 ' A' ' 100' ' ' ILE . 38.9 m-85 -124.39 143.02 41.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.563 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.5 Cg_endo -74.85 170.66 19.88 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.807 . . . . 0.0 111.021 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.568 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.5 t -124.25 128.74 74.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.417 1.073 . . . . 0.0 109.288 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.595 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -71.75 147.07 47.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -66.17 103.81 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.393 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.36 -37.27 3.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 1.1 m-85 -49.29 159.76 0.6 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 111.051 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 126.74 10.19 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 34' ' ' THR . 5.5 t -136.5 33.81 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.41 152.5 47.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.576 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 18.3 m-85 -51.75 -54.76 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' NE ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -59.28 -51.89 68.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -52.76 33.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.671 HG22 HD11 ' A' ' 43' ' ' ILE . 63.5 mt -65.76 -42.21 91.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.855 ' HG2' HG21 ' A' ' 50' ' ' VAL . 7.5 mttp -51.96 -50.37 61.37 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.439 ' NE ' ' OD1' ' A' ' 37' ' ' ASP . 1.2 mpt_? -66.11 -34.02 77.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.372 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -67.09 -41.42 86.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.227 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.879 ' HA ' HD23 ' A' ' 46' ' ' LEU . 17.8 mt -59.73 -53.73 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.394 1.059 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.1 t -67.21 -39.24 86.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.045 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -26.98 61.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.246 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.016 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -86.48 -26.27 24.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.82 30.37 2.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 1.016 ' CE2' HD11 ' A' ' 46' ' ' LEU . 13.1 m-30 -119.16 174.91 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 111.075 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.16 162.42 15.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.372 1.045 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.855 HG21 ' HG2' ' A' ' 40' ' ' LYS . 2.5 p -141.29 128.14 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -109.35 144.19 37.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.39 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.1 p -103.5 103.7 13.69 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.465 1.103 . . . . 0.0 109.976 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.22 93.88 5.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.05 -102.97 0.91 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.416 ' C ' HD23 ' A' ' 56' ' ' LEU . 5.0 m-20 -118.62 -3.84 10.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.8 . . . . 0.0 109.396 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.547 HD13 ' HE3' ' A' ' 70' ' ' LYS . 3.7 mt -95.0 159.91 14.81 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.642 HD11 ' HG3' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -110.71 141.4 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 5.9 mm -124.0 142.18 41.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.22 146.12 36.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.117 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.69 102.02 9.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.074 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.928 HD11 HD13 ' A' ' 64' ' ' ILE . 12.0 pt -124.32 151.81 66.95 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 133.9 17.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.568 1.825 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.3 -25.97 26.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.571 1.169 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.928 HD13 HD11 ' A' ' 61' ' ' ILE . 2.7 mp -107.87 150.0 10.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.513 0.773 . . . . 0.0 109.269 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.7 t -81.94 -62.72 1.55 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.4 1.062 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 -155.48 146.89 22.84 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.491 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -139.64 150.31 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.713 ' C ' HD12 ' A' ' 69' ' ' ILE . 4.5 mt-10 -111.67 135.97 51.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.86 HG13 HG13 ' A' ' 78' ' ' VAL . 2.6 mp -129.89 144.44 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.547 ' HE3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -141.37 92.28 8.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.366 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -74.98 131.98 14.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.21 154.77 47.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -52.7 -40.62 63.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.4 1.062 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.99 -74.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.365 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.85 -168.4 2.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.824 HD11 HG22 ' A' ' 104' ' ' THR . 9.5 pt -130.68 163.27 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.618 1.199 . . . . 0.0 109.258 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.82 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -145.91 153.5 40.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.86 HG13 HG13 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -132.82 147.83 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.473 ' HB2' ' CG ' ' A' ' 23' ' ' MET . 27.7 t30 -135.84 124.97 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.2 p -112.2 -177.92 3.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -125.97 -117.28 2.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.587 1.179 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.89 123.8 48.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.457 ' CD2' HG21 ' A' ' 92' ' ' VAL . 2.6 m-30 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 91' ' ' ALA . 6.2 m-20 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.518 ' HA ' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -48.89 -26.22 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.404 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.25 -38.26 51.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 109.354 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -68.76 -52.57 29.08 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.445 1.09 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.518 HG22 ' HA ' ' A' ' 89' ' ' LYS . 34.4 m -53.52 -47.94 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.447 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 2.2 t -65.02 -33.03 60.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.472 ' HA ' ' ND2' ' A' ' 97' ' ' ASN . 0.2 OUTLIER -67.86 -37.62 82.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.267 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 m -86.59 -30.14 22.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.17 . . . . 0.0 110.358 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.413 ' O ' ' HB3' ' A' ' 99' ' ' PHE . 17.2 t80 -75.7 -55.31 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.541 ' C ' ' OD1' ' A' ' 97' ' ' ASN . 1.3 p30 -56.37 -31.84 64.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.2 OUTLIER -65.52 -40.39 92.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.77 ' CE1' HD22 ' A' ' 103' ' ' LEU . 1.9 t80 -66.98 -32.54 73.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 104' ' ' THR . 29.2 mm -81.34 -36.98 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.3 tt0 -54.79 -33.26 61.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -86.31 -24.93 25.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.77 HD22 ' CE1' ' A' ' 99' ' ' PHE . 1.6 mp -81.95 -20.03 39.46 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.65 1.218 . . . . 0.0 109.28 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.824 HG22 HD11 ' A' ' 76' ' ' ILE . 70.0 p -112.34 -49.21 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.338 1.024 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.592 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 94.28 -20.21 49.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.563 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 6.7 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.54 0.21 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -101.36 134.8 43.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -105.05 121.37 43.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.715 ' CD2' HG21 ' A' ' 100' ' ' ILE . 34.2 m-85 -115.56 149.79 43.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.446 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.07 172.06 17.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.62 1.853 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.84 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.4 t -121.95 149.32 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -98.42 146.43 25.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.226 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -69.67 118.16 12.19 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.418 1.074 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.88 -41.58 2.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 3.6 m-85 -48.1 161.5 0.37 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 111.071 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.42 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.0 Cg_endo -74.97 128.3 11.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.0 p -123.95 24.39 8.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.43 144.76 50.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.58 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 9.8 m-85 -46.9 -55.94 7.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.9 -52.25 66.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.42 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -51.46 -52.37 47.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 110.011 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.873 HG23 HD11 ' A' ' 103' ' ' LEU . 6.8 mt -64.82 -37.8 81.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.716 ' HG2' HG11 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -52.93 -37.5 60.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.3 mpt_? -76.22 -36.45 58.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.355 1.034 . . . . 0.0 110.259 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -33.35 75.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 109.391 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.839 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.4 mt -70.2 -53.61 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.9 t -69.29 -26.67 64.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.8 mm-40 -67.38 -30.12 69.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 110.36 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.07 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -81.68 -24.5 36.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.68 32.19 2.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.337 1.023 . . . . 0.0 111.034 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 1.07 ' CE2' HD11 ' A' ' 46' ' ' LEU . 11.8 m-30 -119.14 179.0 4.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 110.984 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.4 OUTLIER -122.01 162.47 21.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.716 HG11 ' HG2' ' A' ' 40' ' ' LYS . 2.6 p -139.37 138.85 39.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -114.32 144.79 42.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.0 115.82 30.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' CD ' ' NH1' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -121.61 91.79 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.86 -105.33 1.52 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 111.105 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -119.64 -1.49 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 56' ' ' LEU . 6.2 mt -95.22 155.85 16.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.614 HD11 ' HG3' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -105.85 133.56 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.361 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 50' ' ' VAL . 21.1 mm -117.58 128.05 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.45 145.49 26.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -111.87 95.7 5.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.87 HD11 HD13 ' A' ' 64' ' ' ILE . 19.3 pt -119.38 157.04 52.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 133.5 16.59 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.594 1.839 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.07 -25.65 27.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.87 HD13 HD11 ' A' ' 61' ' ' ILE . 3.4 mp -108.47 149.94 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.498 0.763 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.5 t -90.79 -55.55 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.006 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.437 ' NH1' ' CD ' ' A' ' 53' ' ' GLU . 28.0 mtt180 -156.68 141.76 17.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.832 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -142.78 153.77 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.393 1.058 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.583 ' C ' HD12 ' A' ' 69' ' ' ILE . 8.9 mt-10 -111.47 135.66 51.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.806 HG13 HG13 ' A' ' 78' ' ' VAL . 2.3 mp -125.14 145.01 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -141.24 94.99 7.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.56 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.0 Cg_endo -75.11 127.99 11.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.97 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.42 156.6 43.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -56.73 -43.04 80.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -71.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.45 -173.46 4.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.84 HG23 ' CG2' ' A' ' 28' ' ' VAL . 4.7 pt -126.07 160.38 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.831 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -141.86 154.44 45.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.806 HG13 HG13 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -132.76 147.42 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -133.69 120.61 20.84 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.442 ' HA ' HG22 ' A' ' 67' ' ' ILE . 20.9 p -91.97 124.55 36.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.376 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.2 -65.59 1.03 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -135.02 149.43 50.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.477 ' CE2' HG23 ' A' ' 92' ' ' VAL . 1.7 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 91' ' ' ALA . 29.9 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.945 ' O ' HG23 ' A' ' 93' ' ' VAL . 9.6 pttp -48.14 -31.03 5.12 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 tp -77.05 -32.48 56.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -75.74 -49.24 18.78 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' ' 89' ' ' LYS . 10.8 m -60.22 -30.02 45.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.3 t -51.09 -36.87 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -28.53 69.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.4 m -86.57 -35.17 19.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.689 ' HB2' HD11 ' A' ' 64' ' ' ILE . 59.6 t80 -60.27 -45.76 92.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.41 -35.92 76.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -55.44 -39.99 70.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.441 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 6.9 t80 -64.14 -53.09 55.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.715 HG21 ' CD2' ' A' ' 26' ' ' TYR . 29.4 mm -61.71 -32.7 54.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.5 OUTLIER -55.95 -46.16 78.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -83.67 -22.42 32.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.873 HD11 HG23 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -72.2 -44.82 62.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.228 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.676 ' CG2' HD11 ' A' ' 76' ' ' ILE . 46.3 p -96.99 -39.89 9.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.447 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.587 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 93.68 -2.03 69.5 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.448 1.093 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.446 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 4.5 m-85 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.465 0.744 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.2 ttm . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.523 0.201 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.9 128.16 53.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.22 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -91.45 125.47 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.424 ' CG ' HG21 ' A' ' 100' ' ' ILE . 74.8 m-85 -112.25 150.4 42.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.45 ' O ' HG22 ' A' ' 104' ' ' THR . 18.4 Cg_endo -75.06 168.53 24.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.57 1.826 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 75' ' ' LYS . 7.3 p -134.63 139.22 48.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -81.73 146.32 30.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.27 127.4 32.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.82 -39.6 2.7 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.543 1.152 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.709 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 2.6 m-85 -47.91 165.5 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.597 0.822 . . . . 0.0 111.019 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 132.25 15.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.425 1.75 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.5 p -135.01 31.0 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.075 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.22 148.71 43.33 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.546 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 12.3 m-85 -52.03 -53.08 46.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.414 ' O ' ' CD ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -63.27 -50.93 68.19 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.383 1.052 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 m -49.42 -52.31 29.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.627 HG22 HD11 ' A' ' 43' ' ' ILE . 66.9 mt -69.8 -36.1 68.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.37 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.527 ' CG ' HG11 ' A' ' 50' ' ' VAL . 9.2 ttmt -53.23 -37.17 61.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.414 ' CD ' ' O ' ' A' ' 37' ' ' ASP . 1.8 mpt_? -77.08 -35.8 56.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -38.97 91.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.939 ' HA ' HD23 ' A' ' 46' ' ' LEU . 14.4 mt -62.18 -51.16 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.53 -35.15 72.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' ARG . 1.4 mt-10 -65.88 -21.13 66.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.064 HD21 ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -88.13 -25.05 23.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.337 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.51 26.01 4.11 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 1.064 ' CD2' HD21 ' A' ' 46' ' ' LEU . 16.0 m-30 -117.91 179.73 4.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 0.719 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.06 162.23 18.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.527 HG11 ' CG ' ' A' ' 40' ' ' LYS . 1.7 p -141.47 126.89 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -113.3 144.34 42.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -102.71 110.11 21.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.96 90.21 3.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.48 -109.77 2.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.047 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.532 ' C ' HD23 ' A' ' 56' ' ' LEU . 63.1 m-20 -115.17 -2.71 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.538 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -97.54 160.61 14.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.546 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.3 tt -109.98 137.5 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.44 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 20.6 mm -116.69 131.72 68.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.598 1.186 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.15 144.32 29.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.82 102.21 9.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.057 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.049 HD11 HD12 ' A' ' 64' ' ' ILE . 8.2 pt -126.24 153.14 74.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.182 . . . . 0.0 109.176 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 135.19 18.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.66 -24.63 31.42 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.478 1.111 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 1.049 HD12 HD11 ' A' ' 61' ' ' ILE . 9.9 mt -106.91 160.94 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.503 0.767 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.408 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -95.63 -62.87 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.428 ' HD3' HG21 ' A' ' 58' ' ' ILE . 15.2 mtt180 -155.26 140.31 17.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 110.29 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.486 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -142.05 147.42 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.525 ' C ' HD13 ' A' ' 69' ' ' ILE . 8.4 mt-10 -104.73 136.01 45.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.525 HD13 ' C ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -117.1 142.22 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.478 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -139.84 89.15 11.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 134.25 17.48 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.71 150.22 41.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.244 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 13.3 mptt -57.73 -37.28 73.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -68.65 -64.54 0.85 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.646 1.216 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.696 ' HE2' HD12 ' A' ' 77' ' ' LEU . 1.5 pptp? -154.12 -166.08 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.228 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.832 ' C ' HD13 ' A' ' 77' ' ' LEU . 2.7 pt -138.91 158.56 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.832 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -148.37 152.11 36.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.36 1.037 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 100' ' ' ILE . 4.1 t -130.9 149.52 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -124.06 120.64 33.0 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.0 p -109.69 146.07 35.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.444 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.84 -87.93 1.63 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -144.29 106.45 4.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 0.795 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.566 ' OH ' HD11 ' A' ' 64' ' ' ILE . 3.2 m-30 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.703 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 82.7 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 1.001 ' O ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -61.43 -28.49 69.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.385 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' A' ' 93' ' ' VAL . 5.2 tp -76.99 -30.69 56.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.703 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -76.99 -52.15 9.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 89' ' ' LYS . 31.4 m -54.63 -30.08 21.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 89' ' ' LYS . 4.4 t -50.97 -34.29 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -73.72 -28.57 61.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -85.11 -33.09 22.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -78.69 -32.91 47.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -71.49 -46.35 60.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -53.16 -36.26 60.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.65 ' CE1' HD22 ' A' ' 103' ' ' LEU . 17.5 t80 -65.43 -48.05 74.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 104' ' ' THR . 29.5 mm -69.67 -50.27 51.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 109.25 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 106' ' ' TYR . 21.8 tt0 -48.6 -31.23 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.294 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -85.32 -27.95 25.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.65 HD22 ' CE1' ' A' ' 99' ' ' PHE . 4.0 mp -86.13 -11.41 52.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 100' ' ' ILE . 17.1 p -103.63 -30.09 10.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.496 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.709 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 78.42 5.93 87.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.592 1.182 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.46 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 6.7 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.1 tmm? . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.512 0.196 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.62 151.95 27.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.642 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 25.8 mt-10 -121.23 165.29 15.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.642 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 47.5 m-85 -162.28 143.9 8.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.0 162.29 37.36 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.384 1.728 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.56 HG21 ' CG2' ' A' ' 34' ' ' THR . 13.4 p -117.22 139.37 44.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -85.16 144.89 27.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.226 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -67.81 98.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 129.03 -43.45 1.31 Allowed Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.689 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 3.0 m-85 -44.17 160.33 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.423 0.719 . . . . 0.0 111.035 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.414 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.4 Cg_endo -74.96 139.03 23.91 Favored 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.406 1.74 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.56 ' CG2' HG21 ' A' ' 28' ' ' VAL . 25.8 p -136.57 31.87 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.6 142.97 51.37 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.527 1.142 . . . . 0.0 109.211 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.583 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.9 m-85 -47.49 -54.74 10.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.425 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -59.19 -48.94 79.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.22 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 35.8 m -53.13 -53.2 54.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.959 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.771 HG22 HD11 ' A' ' 43' ' ' ILE . 16.5 mt -65.75 -41.44 90.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.632 ' HA ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -50.29 -46.47 55.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' GLU . 9.7 mpt_? -71.58 -36.49 70.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -64.15 -34.22 77.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.771 HD11 HG22 ' A' ' 39' ' ' ILE . 11.9 mt -68.54 -53.51 27.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.6 t -68.97 -29.2 67.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -63.24 -21.64 66.36 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.565 1.165 . . . . 0.0 110.232 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.085 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -93.61 -24.49 17.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.21 34.29 1.82 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 1.085 ' CE2' HD11 ' A' ' 46' ' ' LEU . 10.6 m-30 -119.75 170.47 9.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.554 0.796 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.1 162.36 14.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 58' ' ' ILE . 2.4 p -142.31 133.87 25.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.228 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -111.3 144.55 40.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.6 m -112.23 98.26 7.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.494 ' CD ' HD11 ' A' ' 58' ' ' ILE . 5.5 pt-20 -100.34 90.26 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.04 -104.0 2.18 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.507 ' C ' HD23 ' A' ' 56' ' ' LEU . 83.1 m-20 -121.95 1.19 9.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.513 ' N ' HD23 ' A' ' 56' ' ' LEU . 4.3 mt -97.53 154.47 17.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.583 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -109.06 139.04 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 50' ' ' VAL . 7.1 mm -122.46 138.2 53.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -102.92 139.88 37.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.22 96.08 6.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.783 ' CD1' HD13 ' A' ' 64' ' ' ILE . 15.2 pt -120.81 152.96 56.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.407 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 135.44 19.32 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.464 1.771 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.83 -26.08 25.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.783 HD13 ' CD1' ' A' ' 61' ' ' ILE . 3.7 mp -108.11 148.28 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.776 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.8 t -82.55 -62.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.071 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -155.0 140.5 17.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.611 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.08 148.41 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 6.8 mt-10 -104.75 137.43 42.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.234 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.559 HD13 HG13 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -120.1 140.4 44.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -139.91 91.45 10.33 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.571 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -75.01 131.45 14.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.552 1.817 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.64 150.89 49.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -57.19 -42.33 81.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -67.5 -62.64 1.32 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.113 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.857 ' HE3' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -153.2 -166.17 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.882 HD11 HG22 ' A' ' 104' ' ' THR . 0.8 OUTLIER -140.16 155.78 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.857 HD12 ' HE3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -141.03 155.38 46.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.559 HG13 HD13 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -132.96 145.97 33.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -123.31 127.77 49.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.0 p -113.18 143.57 44.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.614 1.196 . . . . 0.0 110.445 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.35 -90.64 1.02 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 110.945 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -143.71 113.53 7.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 0.741 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.479 ' OH ' ' CD1' ' A' ' 96' ' ' TYR . 2.8 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.454 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.876 ' O ' HG23 ' A' ' 93' ' ' VAL . 2.4 mttt -50.69 -30.1 12.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.68 -32.64 60.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -68.68 -52.06 35.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.103 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 89' ' ' LYS . 15.2 m -62.86 -31.91 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.364 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.3 t -53.4 -36.79 27.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -66.79 -29.37 69.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.438 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 3.2 m -86.22 -32.57 21.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.562 ' HB2' HD11 ' A' ' 64' ' ' ILE . 50.3 t80 -69.01 -43.48 74.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.626 1.204 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -39.32 77.21 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.442 1.088 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -38.38 59.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 10.3 t80 -76.37 -53.43 8.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 104' ' ' THR . 40.1 mm -56.03 -35.57 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.2 mm-40 -54.49 -47.26 73.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.23 -15.85 45.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.079 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.64 HD11 HG23 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -82.56 -26.89 31.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.882 HG22 HD11 ' A' ' 76' ' ' ILE . 64.8 p -111.14 -47.67 3.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.461 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.689 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 111.51 -27.8 10.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.135 . . . . 0.0 111.078 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 30.2 m-85 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 111.066 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.417 0.151 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.58 131.96 53.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.351 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -117.24 120.92 39.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 0.0 110.365 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 1.029 ' CD2' HG21 ' A' ' 100' ' ' ILE . 56.8 m-85 -114.67 150.51 44.09 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.185 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 174.37 12.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.7 ' CG2' HG23 ' A' ' 76' ' ' ILE . 3.4 t -126.01 134.3 66.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.192 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -81.11 145.79 30.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -69.85 104.48 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.265 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 121.62 -45.59 1.2 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.58 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 3.5 m-85 -42.55 159.34 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.34 25.41 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.781 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.1 p -140.61 32.06 1.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.368 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.57 146.99 45.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.234 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.572 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.0 m-85 -51.15 -52.18 46.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -50.41 73.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 m -50.04 -52.8 31.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.95 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.901 HG22 HD11 ' A' ' 43' ' ' ILE . 98.3 mt -64.81 -40.89 90.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.629 ' HG2' HG11 ' A' ' 50' ' ' VAL . 1.6 mtpp -51.66 -40.47 60.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.4 mpt_? -75.02 -39.66 61.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.408 1.067 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -33.43 75.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.91 ' HA ' HD23 ' A' ' 46' ' ' LEU . 20.6 mt -69.04 -53.69 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.4 t -69.54 -25.39 64.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 109.947 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 2.0 mm-40 -73.74 -23.91 59.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.91 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -89.88 -22.8 21.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.33 24.91 4.58 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.881 ' CD2' HD21 ' A' ' 46' ' ' LEU . 10.7 m-30 -112.89 177.65 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.386 0.698 . . . . 0.0 111.004 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.28 161.76 21.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.629 HG11 ' HG2' ' A' ' 40' ' ' LYS . 2.4 p -140.21 134.04 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -116.09 144.94 43.47 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.552 1.158 . . . . 0.0 109.365 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.8 m -105.54 98.82 8.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.039 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -102.51 90.5 3.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 110.194 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.52 -109.93 2.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.578 1.173 . . . . 0.0 111.01 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.544 ' C ' HD23 ' A' ' 56' ' ' LEU . 2.4 m-20 -115.31 -3.68 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.791 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.58 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -96.73 158.0 15.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.443 1.09 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.572 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -107.62 139.06 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 27.5 mm -118.18 131.88 69.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' HB3' HG12 ' A' ' 67' ' ' ILE . . . -99.64 144.35 28.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.34 101.48 8.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.828 HD11 HD13 ' A' ' 64' ' ' ILE . 7.1 pt -122.54 154.64 63.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 139.46 24.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.98 -25.65 20.73 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.828 HD13 HD11 ' A' ' 61' ' ' ILE . 2.4 mp -107.69 145.32 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 0.795 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 m -77.28 -62.47 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.892 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.05 142.13 19.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.429 1.081 . . . . 0.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.673 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.4 153.35 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 8.0 mt-10 -109.91 137.4 47.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.572 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -121.62 135.82 60.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 1.1 mppt? -134.67 90.12 24.14 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.249 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.515 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -74.97 140.99 26.18 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.26 148.18 37.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.6 mttt -52.37 -36.83 54.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.509 ' CZ ' ' HA ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -71.19 -68.83 0.41 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.554 ' NZ ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -148.92 -166.75 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.914 HD11 HG22 ' A' ' 104' ' ' THR . 9.6 pt -135.02 164.25 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.86 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -148.87 153.62 38.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.27 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.442 HG13 HD13 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -132.86 147.81 31.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -130.99 116.32 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.466 ' CG2' ' CZ ' ' A' ' 96' ' ' TYR . 61.3 p -96.72 152.42 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.77 -113.64 3.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.24 137.35 43.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.561 ' CD2' HG21 ' A' ' 92' ' ' VAL . 4.4 m-30 -105.19 159.28 15.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -68.3 105.16 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.9 m -54.62 -26.02 30.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.9 -30.66 65.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.58 134.01 37.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -53.5 106.28 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.536 ' HA ' HG22 ' A' ' 92' ' ' VAL . 25.7 mttt -51.18 -27.85 9.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -31.04 58.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -73.79 -52.26 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.561 HG21 ' CD2' ' A' ' 83' ' ' TYR . 26.2 m -58.18 -24.6 24.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.333 1.02 . . . . 0.0 109.221 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.97 -37.28 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.511 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -64.47 -30.2 71.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.4 1.062 . . . . 0.0 110.346 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.451 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 16.3 m -87.45 -30.43 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.426 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.466 ' CZ ' ' CG2' ' A' ' 80' ' ' THR . 57.0 t80 -74.78 -38.55 62.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -72.76 -47.04 50.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 0.0 109.385 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -53.66 -37.58 63.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -60.84 -50.83 71.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.585 1.178 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 1.029 HG21 ' CD2' ' A' ' 26' ' ' TYR . 19.3 mm -72.35 -35.44 52.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -40.45 63.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 110.308 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -84.82 -23.03 29.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.611 HD21 HG23 ' A' ' 39' ' ' ILE . 1.5 tp -81.69 -12.86 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.914 HG22 HD11 ' A' ' 76' ' ' ILE . 81.1 p -117.41 -41.66 2.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 110.418 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.58 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 104.54 -38.62 3.18 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.437 1.086 . . . . 0.0 111.045 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -59.35 147.63 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.441 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 99.5 p -110.76 163.59 13.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 110.063 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.45 -34.0 73.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -61.95 -26.21 68.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 107' ' ' SER . 0.7 OUTLIER -67.1 -31.65 72.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.243 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.427 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 27.1 mtp180 -49.44 -33.97 15.42 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.55 -42.99 71.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.609 1.193 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -50.1 -39.18 41.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.215 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 9.8 mmt -68.38 -49.56 59.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.056 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -34.99 79.48 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 110.953 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 29.9 m -89.46 95.63 10.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.38 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -88.26 -52.05 5.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.456 ' HG3' ' CB ' ' A' ' 79' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.574 0.226 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -97.56 149.81 21.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 110.279 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -120.5 123.51 43.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.482 ' CD2' HG23 ' A' ' 78' ' ' VAL . 24.6 m-85 -119.14 143.9 35.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.27 29.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.45 129.64 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -73.53 146.66 44.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 109.245 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 2.2 pttt -70.29 117.55 11.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.59 -41.38 2.23 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.429 1.081 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 3.4 m-85 -46.14 165.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.795 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 130.34 13.17 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.765 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.6 p -133.92 28.81 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.404 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.25 142.72 48.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.569 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 7.3 m-85 -49.34 -55.26 13.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -47.77 84.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.401 1.063 . . . . 0.0 109.23 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -52.77 31.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.867 HG22 HD11 ' A' ' 43' ' ' ILE . 9.2 mt -63.61 -41.71 93.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HG2' HG21 ' A' ' 50' ' ' VAL . 9.2 mttt -50.31 -38.74 43.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLU . 10.4 mpt_? -73.54 -41.45 62.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -38.73 92.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.867 HD11 HG22 ' A' ' 39' ' ' ILE . 20.4 mt -66.13 -55.5 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.5 t -66.06 -24.24 66.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -69.14 -39.49 78.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.798 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -77.36 -25.19 50.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.67 34.08 1.78 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.759 ' CD2' HG22 ' A' ' 61' ' ' ILE . 6.7 m-30 -115.12 160.7 19.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.85 157.38 17.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 58' ' ' ILE . 2.9 p -140.22 134.74 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -115.58 146.71 41.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.7 p -99.97 110.83 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.466 ' HB2' ' CG1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -110.82 93.62 4.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.26 -103.34 0.92 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.493 ' C ' HD23 ' A' ' 56' ' ' LEU . 73.3 m-20 -118.86 -3.3 10.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.365 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.552 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.2 mt -95.68 159.9 14.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.386 1.054 . . . . 0.0 109.22 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.497 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -106.3 137.64 35.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.214 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 50' ' ' VAL . 16.2 mm -116.63 129.54 72.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.378 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.33 137.65 43.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 t -109.18 105.75 15.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.759 HG22 ' CD2' ' A' ' 48' ' ' PHE . 6.9 pt -122.61 153.89 63.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.23 16.33 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.588 1.836 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.511 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 100.1 -25.27 28.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.837 HG21 HD12 ' A' ' 67' ' ' ILE . 2.7 mp -107.35 149.69 10.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.495 0.762 . . . . 0.0 109.237 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.3 t -82.74 -62.28 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 110.041 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -154.99 140.55 17.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.837 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -141.22 149.64 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.648 ' C ' HD12 ' A' ' 69' ' ' ILE . 7.1 mt-10 -114.16 135.89 53.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.76 HG13 HG13 ' A' ' 78' ' ' VAL . 2.5 mp -121.12 144.46 30.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.448 1.092 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.457 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.59 90.32 14.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.367 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.1 Cg_endo -75.03 125.81 9.54 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.2 152.18 43.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -28.75 59.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -62.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.86 ' HE3' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -152.14 -166.0 2.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.909 ' C ' HD13 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -140.96 164.51 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.909 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -147.6 153.78 39.83 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.76 HG13 HG13 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -132.96 146.51 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.456 ' CB ' ' HG3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -131.99 125.84 32.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 80.9 p -107.15 142.73 36.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.35 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.53 -83.33 0.8 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -146.18 109.7 4.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -67.57 154.85 40.49 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.536 1.147 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.02 107.25 4.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.6 p -55.2 -40.89 71.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 110.044 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.16 -47.85 71.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.39 132.57 42.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.3 m-20 -52.26 105.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.381 1.051 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.624 ' HA ' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -50.74 -27.07 6.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.64 -33.19 60.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 109.373 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -74.06 -51.6 15.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.186 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.624 HG22 ' HA ' ' A' ' 89' ' ' LYS . 29.5 m -60.81 -33.5 55.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 89' ' ' LYS . 3.3 t -69.29 -38.11 76.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.632 1.207 . . . . 0.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -63.34 -30.81 71.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.3 m -86.06 -30.98 22.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -75.33 -39.34 59.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.16 -46.35 64.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.33 -34.19 70.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.459 ' CE2' HD22 ' A' ' 103' ' ' LEU . 59.6 t80 -68.09 -42.94 79.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.397 1.06 . . . . 0.0 111.055 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 103' ' ' LEU . 21.0 mm -75.26 -50.39 24.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.47 ' O ' ' CA ' ' A' ' 105' ' ' GLY . 5.9 tt0 -46.97 -32.19 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 -29.16 21.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.459 HD22 ' CE2' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -75.0 -35.9 62.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.432 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 2.8 p -100.99 -40.25 7.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.382 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.528 ' HA3' ' CZ ' ' A' ' 32' ' ' PHE . . . 103.6 -34.0 6.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.097 . . . . 0.0 111.014 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -61.07 144.95 52.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -110.09 163.06 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.92 -33.07 70.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 0.0 109.225 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.47 -31.68 72.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 107' ' ' SER . 0.6 OUTLIER -59.9 -32.0 70.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.192 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.538 ' HG2' ' HE2' ' A' ' 114' ' ' MET . 0.4 OUTLIER -49.96 -32.05 14.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -55.97 -44.68 78.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -43.36 -54.27 4.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.538 ' HE2' ' HG2' ' A' ' 111' ' ' ARG . 2.0 ptt? -75.99 -21.36 57.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 111.03 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.423 ' N ' ' HG3' ' A' ' 114' ' ' MET . 0.3 OUTLIER -88.71 7.31 34.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 111.052 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.5 m -96.16 -42.32 8.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.733 ' O ' ' OXT' ' A' ' 118' ' ' ASP . 9.8 ttpt -60.99 -56.8 16.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.733 ' OXT' ' O ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.5 ttm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.489 0.185 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.11 127.43 53.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -90.17 131.82 35.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.625 1.203 . . . . 0.0 110.344 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.506 ' CD2' HG21 ' A' ' 100' ' ' ILE . 29.7 m-85 -114.24 147.57 38.2 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 26' ' ' TYR . 18.3 Cg_endo -75.01 167.06 27.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.84 ' CG2' HG23 ' A' ' 76' ' ' ILE . 10.5 t -123.26 135.4 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -75.82 146.82 39.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 5.3 mptt -71.22 105.8 3.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.7 -44.87 1.26 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.364 1.04 . . . . 0.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 104' ' ' THR . 3.6 m-85 -43.18 159.93 0.21 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 142.78 28.39 Favored 'Trans proline' 0 C--N 1.362 1.26 0 O-C-N 124.466 1.772 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 p -136.57 29.3 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -117.33 148.24 41.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.607 1.192 . . . . 0.0 109.224 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.561 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 5.9 m-85 -52.89 -51.0 62.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -52.91 62.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.6 m -49.77 -52.65 30.28 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.436 1.085 . . . . 0.0 110.123 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.625 HG23 HD11 ' A' ' 103' ' ' LEU . 40.3 mt -64.56 -40.28 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.768 ' HG2' HG21 ' A' ' 50' ' ' VAL . 14.9 mtpt -51.98 -38.06 55.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 45' ' ' GLU . 2.6 mpt_? -76.58 -38.4 54.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.228 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -30.92 71.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.782 ' HA ' HD23 ' A' ' 46' ' ' LEU . 38.2 mt -70.72 -54.93 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -67.96 -31.11 70.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.956 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -61.44 -25.19 67.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.048 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.34 -23.97 22.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.268 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.59 32.05 2.21 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.412 1.07 . . . . 0.0 111.026 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 1.048 ' CE2' HD11 ' A' ' 46' ' ' LEU . 11.6 m-30 -118.74 176.6 5.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.74 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.58 162.08 18.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.768 HG21 ' HG2' ' A' ' 40' ' ' LYS . 1.7 p -138.69 132.1 39.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -112.95 144.31 42.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -107.81 99.26 8.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -102.61 92.1 4.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.28 -110.62 3.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.476 ' C ' HD23 ' A' ' 56' ' ' LEU . 20.8 m-20 -115.94 -4.3 12.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.537 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -95.14 159.71 14.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.642 HD11 ' HG3' ' A' ' 40' ' ' LYS . 1.1 tt -107.81 138.46 34.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 26.7 mm -119.09 137.52 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.84 144.74 31.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.48 100.37 8.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.874 HD11 HD13 ' A' ' 64' ' ' ILE . 13.7 pt -122.84 152.66 62.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 137.01 21.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.556 1.819 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.54 -25.37 28.52 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.095 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.874 HD13 HD11 ' A' ' 61' ' ' ILE . 1.2 mp -107.43 161.78 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.368 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.47 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 26.3 t -94.23 -62.4 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.2 136.77 14.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -135.32 151.48 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.8 mt-10 -109.04 137.16 47.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.57 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -119.76 135.06 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 1.5 mppt? -131.74 89.28 39.84 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.466 ' HB3' ' CD1' ' A' ' 39' ' ' ILE . 18.4 Cg_endo -75.05 134.17 17.4 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.22 150.91 43.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -57.52 -42.64 83.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -66.38 0.56 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.45 178.85 9.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.334 1.022 . . . . 0.0 109.4 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.917 ' C ' HD13 ' A' ' 77' ' ' LEU . 4.8 pt -126.37 160.09 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.917 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -145.64 154.03 41.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 1.144 . . . . 0.0 109.214 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.49 HG13 HD13 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -133.22 148.18 31.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.455 1.097 . . . . 0.0 109.195 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -136.89 127.37 26.74 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.409 ' HA ' HG22 ' A' ' 67' ' ' ILE . 74.5 p -96.33 161.49 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.25 -70.92 0.68 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.451 1.094 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -137.2 136.04 37.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.805 . . . . 0.0 109.26 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -108.5 159.11 16.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.669 ' CG ' ' HB3' ' A' ' 87' ' ' ALA . 2.5 p30 -82.27 96.44 7.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -56.37 -38.77 71.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.69 -36.11 73.69 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.669 ' HB3' ' CG ' ' A' ' 84' ' ' ASP . . . -83.31 146.32 28.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.454 ' O ' HG22 ' A' ' 92' ' ' VAL . 8.3 m-20 -56.06 105.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -51.6 -29.4 17.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.571 1.169 . . . . 0.0 109.358 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -77.2 -30.05 54.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -72.98 -52.73 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.607 HG11 ' OD1' ' A' ' 84' ' ' ASP . 6.2 m -59.7 -37.59 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.24 -37.36 78.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.47 1.107 . . . . 0.0 109.265 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 90' ' ' LEU . 2.3 mmt180 -65.52 -31.17 72.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -86.23 -32.7 21.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -72.02 -35.39 69.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.4 1.063 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -37.97 46.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -55.38 -37.69 67.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.7 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 6.7 t80 -63.53 -53.05 58.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.506 HG21 ' CD2' ' A' ' 26' ' ' TYR . 26.1 mm -60.23 -32.18 50.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.511 ' O ' ' CA ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -55.54 -43.33 75.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.208 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -22.43 22.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.222 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.7 ' CD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -71.72 -41.63 68.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.598 ' CG2' HD11 ' A' ' 76' ' ' ILE . 66.7 p -105.7 -35.99 7.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.397 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 101' ' ' GLU . . . 109.87 -34.8 5.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.59 1.181 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -64.46 146.26 54.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -108.35 166.56 10.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.049 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.34 73.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -25.85 68.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 111' ' ' ARG . 0.4 OUTLIER -67.86 -30.72 70.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.43 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -48.31 -30.36 4.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.34 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 116' ' ' THR . 0.0 OUTLIER -51.33 -37.91 50.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.712 ' CE ' ' OXT' ' A' ' 118' ' ' ASP . 0.0 OUTLIER -57.85 -17.59 17.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -83.63 -57.93 3.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.412 1.07 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 5.2 ptp -75.87 -12.51 60.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 112' ' ' LYS . 45.0 m -137.47 104.94 5.5 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.522 1.139 . . . . 0.0 110.401 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.69 133.22 46.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.712 ' OXT' ' CE ' ' A' ' 113' ' ' LYS . 6.9 t70 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 78' ' ' VAL . 21.0 ttm . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.536 0.208 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.561 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -110.0 137.99 47.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 1.9 mt-10 -100.73 132.71 45.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.683 ' CD2' HG21 ' A' ' 100' ' ' ILE . 57.8 m-85 -125.35 146.81 55.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.527 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.5 Cg_endo -74.9 -170.1 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.554 1.818 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.507 HG21 ' CG2' ' A' ' 34' ' ' THR . 14.7 p -145.0 118.9 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.217 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -64.42 145.72 55.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -69.74 105.98 2.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.34 -43.53 1.46 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.586 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 3.1 m-85 -44.33 161.26 0.22 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.451 0.736 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.449 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.5 Cg_endo -74.99 127.01 10.34 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.506 1.793 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.507 ' CG2' HG21 ' A' ' 28' ' ' VAL . 6.4 p -132.89 31.88 3.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.53 152.15 42.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.22 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.459 ' HA ' HD12 ' A' ' 57' ' ' ILE . 7.2 m-85 -52.24 -55.58 20.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.43 ' CG ' ' N ' ' A' ' 38' ' ' SER . 6.6 p-10 -61.12 -50.44 73.21 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 5.0 m -49.82 -52.84 29.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.4 mt -69.76 -33.71 57.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.555 ' CG ' HG11 ' A' ' 50' ' ' VAL . 3.1 tttm -56.81 -38.79 73.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -74.6 -32.86 62.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -64.77 -47.35 78.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.879 ' HA ' HD23 ' A' ' 46' ' ' LEU . 31.6 mt -53.36 -53.28 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -67.79 -43.77 78.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.93 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -24.52 58.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.006 HD21 ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -88.64 -25.66 22.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.25 21.94 5.71 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 1.006 ' CD2' HD21 ' A' ' 46' ' ' LEU . 12.4 m-30 -112.79 175.2 5.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' CB ' ' HB3' ' A' ' 60' ' ' SER . 0.3 OUTLIER -114.91 156.54 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.555 HG11 ' CG ' ' A' ' 40' ' ' LYS . 2.4 p -139.0 130.07 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -112.82 144.48 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -99.13 97.94 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.123 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.06 95.05 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.263 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.21 -103.15 0.81 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.448 1.093 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.509 ' C ' HD23 ' A' ' 56' ' ' LEU . 4.5 m-20 -119.52 -1.92 10.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.546 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -96.27 164.32 12.71 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 69' ' ' ILE . 0.7 OUTLIER -109.67 140.67 27.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.454 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 32.4 mm -123.18 131.61 72.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.29 134.22 47.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 49' ' ' ASP . 8.1 t -108.74 104.39 13.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.946 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.927 HG22 ' CD2' ' A' ' 48' ' ' PHE . 9.0 pt -124.38 153.05 68.99 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.519 1.137 . . . . 0.0 109.37 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 133.03 16.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.45 1.763 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.06 -24.6 31.34 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 111.066 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.824 HG21 HD12 ' A' ' 67' ' ' ILE . 2.3 mp -106.78 152.54 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.593 0.819 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 -62.62 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -155.29 138.43 15.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.824 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.5 148.8 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.214 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.722 ' C ' HD13 ' A' ' 69' ' ' ILE . 8.7 mt-10 -110.19 144.7 38.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.722 HD13 ' C ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -126.15 123.44 63.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.782 ' CB ' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -116.47 89.32 26.78 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.67 9.5 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.464 1.77 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 0.6 OUTLIER -130.99 145.32 52.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -55.09 -43.29 73.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.085 . . . . 0.0 109.224 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HB3' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -64.27 -62.83 1.36 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' CD ' ' HB3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -153.48 -173.01 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.832 HD11 HG22 ' A' ' 104' ' ' THR . 3.6 pt -130.99 158.18 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.804 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -141.05 155.05 46.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 24' ' ' ARG . 4.2 m -127.07 138.34 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.362 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -130.94 117.81 19.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.1 p -111.48 175.11 5.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -118.99 -87.1 1.09 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -140.36 135.17 31.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.61 ' OH ' ' CD1' ' A' ' 96' ' ' TYR . 3.4 m-85 -93.54 159.25 15.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -68.41 105.71 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.83 -37.43 66.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -55.58 -53.89 50.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.57 154.86 41.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.522 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 20.3 m-20 -72.86 98.52 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.616 ' HA ' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -54.16 -29.89 47.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.413 ' N ' ' HG2' ' A' ' 89' ' ' LYS . 3.1 tp -74.7 -32.47 62.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -74.92 -51.61 13.35 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 89' ' ' LYS . 21.7 m -61.19 -38.3 79.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 89' ' ' LYS . 1.6 t -51.57 -34.33 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.491 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -67.42 -30.24 69.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 2.1 m -86.83 -36.24 18.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.61 ' CD1' ' OH ' ' A' ' 83' ' ' TYR . 29.0 t80 -70.79 -32.22 69.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -77.1 -37.66 53.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -66.0 -37.23 85.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.649 ' CE1' HD22 ' A' ' 103' ' ' LEU . 6.1 t80 -62.03 -41.18 97.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.683 HG21 ' CD2' ' A' ' 26' ' ' TYR . 9.6 mm -77.04 -46.74 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -48.53 -32.89 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.193 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.43 -26.95 27.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.649 HD22 ' CE1' ' A' ' 99' ' ' PHE . 4.2 mp -83.22 -16.45 46.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.832 HG22 HD11 ' A' ' 76' ' ' ILE . 82.3 p -110.2 -44.18 3.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.586 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 80.4 5.1 89.98 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.544 1.153 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.527 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 7.9 m-85 -101.98 125.73 48.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.741 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.19 157.43 20.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.984 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.25 -23.79 57.22 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -50.7 50.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.369 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.504 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 15.4 pt-20 -78.46 -30.96 47.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -46.72 57.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -44.62 82.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 31.7 mttt -44.07 -33.46 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.381 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 33.0 mmt -59.52 -57.61 12.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 111.058 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 7.7 ptm -78.65 -19.89 51.55 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.418 1.074 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 53.6 m -109.32 91.55 3.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.706 ' O ' ' OXT' ' A' ' 118' ' ' ASP . 22.4 mttp -57.54 161.73 3.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.706 ' OXT' ' O ' ' A' ' 117' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.252 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 78' ' ' VAL . 30.5 ttm . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.528 0.204 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.661 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -103.13 141.62 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.59 132.42 51.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.659 ' HB3' HG21 ' A' ' 104' ' ' THR . 70.6 m-85 -124.28 141.85 38.5 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 178.46 7.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG21 ' CG2' ' A' ' 34' ' ' THR . 12.3 p -130.21 139.38 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.596 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -86.99 145.79 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 16.6 tttt -66.84 108.74 2.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.46 -48.18 0.97 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.487 1.117 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.596 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 3.7 m-85 -40.39 160.46 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 127.2 10.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.801 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.477 ' CG2' HG21 ' A' ' 28' ' ' VAL . 30.1 p -128.29 22.33 6.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.54 143.8 41.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.562 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 10.8 m-85 -52.85 -53.41 49.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -46.83 88.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.6 m -52.52 -52.91 52.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.342 1.026 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.641 ' CG2' HD21 ' A' ' 103' ' ' LEU . 50.7 mt -63.83 -37.92 80.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.59 ' HG2' HG11 ' A' ' 50' ' ' VAL . 1.5 mtmm -51.8 -39.63 59.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.484 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.1 mpt_? -76.76 -35.44 57.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -64.14 -36.62 84.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.796 ' HA ' HD23 ' A' ' 46' ' ' LEU . 28.0 mt -66.88 -54.97 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -67.24 -27.21 67.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.1 mm-40 -67.71 -27.3 66.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.572 1.17 . . . . 0.0 110.4 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -90.16 -22.53 21.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.55 27.23 3.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.788 ' CZ ' HD11 ' A' ' 46' ' ' LEU . 8.6 m-30 -112.12 170.64 8.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.81 157.87 21.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 1.188 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.59 HG11 ' HG2' ' A' ' 40' ' ' LYS . 2.3 p -144.27 135.52 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 109.31 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -115.44 143.54 45.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.7 p -97.31 106.43 18.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.06 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.89 116.42 30.6 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 48.46 -108.77 0.42 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.587 1.18 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.534 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -117.35 -0.21 12.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.555 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.4 mt -97.69 158.98 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.742 HG22 ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -107.11 138.21 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.563 ' O ' HG23 ' A' ' 50' ' ' VAL . 39.0 mm -116.9 129.08 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 109.372 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.485 ' HB3' HG12 ' A' ' 67' ' ' ILE . . . -107.11 142.23 37.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.16 113.85 22.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.068 HD11 HD12 ' A' ' 64' ' ' ILE . 6.6 pt -130.39 158.5 74.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 130.41 13.26 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.806 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.29 -26.12 25.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 1.068 HD12 HD11 ' A' ' 61' ' ' ILE . 22.0 mt -107.91 143.87 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.731 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.8 t -77.06 -61.46 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.07 144.2 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.628 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -137.67 153.29 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.487 ' C ' HD12 ' A' ' 69' ' ' ILE . 7.9 mt-10 -119.2 137.3 53.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.742 ' O ' HG22 ' A' ' 57' ' ' ILE . 4.6 mp -136.78 141.36 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.515 ' HE3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -132.97 99.65 14.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.548 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -75.06 128.54 11.51 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.482 1.78 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.7 154.22 47.37 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.56 1.162 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -58.54 -39.76 81.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -68.27 -67.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 110.326 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.96 -175.31 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.385 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.817 HD11 HG22 ' A' ' 104' ' ' THR . 1.1 pt -127.02 152.31 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.799 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -132.46 154.81 49.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.578 1.173 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 24' ' ' ARG . 10.3 m -125.36 141.66 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -132.8 112.62 12.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.3 p -104.78 142.15 35.22 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.151 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -79.71 -85.85 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.57 1.169 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.14 112.62 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -66.28 155.3 37.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.28 110.82 8.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.43 -40.64 78.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -40.34 75.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.09 139.21 39.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ALA . 12.1 m-20 -58.14 105.17 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.575 ' HA ' HG22 ' A' ' 92' ' ' VAL . 5.6 mttt -49.56 -28.46 5.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.467 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.3 OUTLIER -76.22 -35.24 59.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -71.68 -52.1 19.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' A' ' 89' ' ' LYS . 33.0 m -57.59 -44.51 85.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.379 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.69 -36.81 77.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.408 1.068 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -62.89 -36.06 82.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -85.94 -39.69 16.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.44 ' CE2' HG13 ' A' ' 100' ' ' ILE . 60.0 t80 -62.13 -31.54 72.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 0.8 OUTLIER -70.23 -38.79 75.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.22 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -62.08 -39.72 93.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.333 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.662 ' CE1' HD22 ' A' ' 103' ' ' LEU . 21.5 t80 -67.91 -52.04 40.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.597 HG21 ' CE2' ' A' ' 26' ' ' TYR . 20.3 mm -65.23 -51.14 68.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 97' ' ' ASN . 45.9 tt0 -48.03 -32.72 6.99 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -83.03 -29.26 29.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.662 HD22 ' CE1' ' A' ' 99' ' ' PHE . 2.3 mp -81.74 -17.29 48.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.817 HG22 HD11 ' A' ' 76' ' ' ILE . 21.2 p -107.23 -42.29 4.89 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.583 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 90.06 -28.98 6.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.523 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 10.0 m-85 -75.14 125.2 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.19 169.28 12.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.65 -22.85 66.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -69.82 -50.16 45.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.434 ' CD ' ' HA ' ' A' ' 106' ' ' TYR . 13.0 pt-20 -80.74 -32.35 35.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.41 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -51.4 -46.54 62.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.404 ' HG3' ' CE ' ' A' ' 115' ' ' MET . 0.2 OUTLIER -68.1 -22.8 64.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.668 ' HG2' ' OXT' ' A' ' 118' ' ' ASP . 15.9 mttm -78.05 -38.08 45.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.458 ' CE ' ' HB3' ' A' ' 27' ' ' PRO . 0.7 OUTLIER -71.19 -23.54 62.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.081 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.488 ' CG ' ' N ' ' A' ' 116' ' ' THR . 5.4 ptt? -98.54 -40.83 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.488 ' N ' ' CG ' ' A' ' 115' ' ' MET . 58.2 m -134.35 128.34 33.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.46 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.39 162.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.668 ' OXT' ' HG2' ' A' ' 113' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.6 ttp . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.572 0.225 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -96.83 154.19 17.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.459 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 2.1 mt-10 -119.53 134.56 55.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.655 ' CE2' HG21 ' A' ' 100' ' ' ILE . 25.0 m-85 -124.95 143.61 44.49 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HG2' ' CD2' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.02 172.12 16.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.77 . . . . 0.0 111.06 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.46 HG21 ' HB ' ' A' ' 34' ' ' THR . 7.6 p -120.61 117.88 54.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -65.17 145.06 56.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -63.97 104.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.73 -45.06 1.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 3.5 m-85 -44.67 160.25 0.24 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.76 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 128.11 11.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 34' ' ' THR . 3.5 t -134.93 30.2 3.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.623 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -123.85 150.23 44.82 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.466 1.104 . . . . 0.0 109.382 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.538 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 13.8 m-85 -52.47 -55.35 22.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -64.26 -51.54 63.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.46 ' HB2' ' CB ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -50.08 -49.26 52.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 35' ' ' ASP . 9.2 mt -64.53 -42.23 94.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.482 ' CD ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -51.22 -49.06 61.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.3 mpt_? -55.64 -43.56 76.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -45.88 90.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.399 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.814 HG21 HG13 ' A' ' 50' ' ' VAL . 9.0 mt -60.21 -54.17 38.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.142 . . . . 0.0 109.22 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.8 t -67.12 -24.15 65.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -71.88 -41.74 67.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.062 HD11 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -77.3 -16.84 58.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.39 34.46 5.82 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 1.062 ' CE1' HD11 ' A' ' 46' ' ' LEU . 2.4 m-30 -104.47 142.88 33.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 0.808 . . . . 0.0 111.064 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 60' ' ' SER . 0.3 OUTLIER -77.67 147.15 35.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.391 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.814 HG13 HG21 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -148.97 140.24 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.247 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.17 146.3 49.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -110.32 104.22 12.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.93 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -123.87 121.49 35.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.83 -119.52 11.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.594 1.184 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.47 ' C ' HD23 ' A' ' 56' ' ' LEU . 61.4 m-20 -120.53 -3.22 9.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.576 0.809 . . . . 0.0 109.215 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.512 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.7 mt -95.52 158.32 15.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.528 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -108.36 141.06 24.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 0.0 109.354 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.491 ' O ' HG12 ' A' ' 50' ' ' VAL . 18.4 mm -119.46 127.1 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.624 1.203 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -111.07 135.23 51.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.087 . . . . 0.0 109.364 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.474 ' HB3' ' CB ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -112.1 120.21 41.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.021 HD11 HD12 ' A' ' 64' ' ' ILE . 6.5 pt -128.02 159.96 64.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 128.98 11.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.0 -24.99 29.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 1.021 HD12 HD11 ' A' ' 61' ' ' ILE . 30.2 mt -107.09 147.66 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -78.75 -62.46 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.23 143.11 19.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.615 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.76 146.79 25.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.686 ' C ' HD12 ' A' ' 69' ' ' ILE . 5.3 mt-10 -110.45 137.16 48.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.826 HG13 HG13 ' A' ' 78' ' ' VAL . 2.3 mp -122.47 144.83 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -138.65 89.38 13.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.234 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.538 ' HG2' ' CD1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -75.09 128.2 11.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.66 153.76 48.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -54.28 -40.13 67.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -69.45 -68.96 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.13 -177.58 6.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.602 1.189 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.755 ' C ' HD13 ' A' ' 77' ' ' LEU . 1.5 pt -127.25 153.79 36.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.402 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.799 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.11 154.26 50.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.826 HG13 HG13 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -132.9 147.33 31.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.355 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -126.66 123.98 38.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.4 p -100.01 148.91 24.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.411 1.07 . . . . 0.0 110.433 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.65 -108.37 1.95 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.562 1.164 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -128.38 117.46 21.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 0.0 109.392 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.788 ' OH ' HD11 ' A' ' 64' ' ' ILE . 3.2 m-85 -76.97 156.64 31.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.453 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 33.6 t0 -66.73 98.98 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.8 m -50.87 -29.56 12.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.032 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -67.48 -32.94 74.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' A' ' 84' ' ' ASP . . . -95.93 141.88 28.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.379 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.45 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 31.9 m-20 -57.0 105.48 0.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.591 1.182 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.894 ' O ' HG23 ' A' ' 93' ' ' VAL . 4.0 pttt -56.52 -28.86 61.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 mp -75.67 -35.84 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -61.95 -51.65 67.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.03 -35.42 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.7 t -51.62 -32.12 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.378 1.049 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -29.13 66.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.235 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -86.09 -40.06 16.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -65.12 -35.13 80.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 2.4 m-80 -74.46 -34.54 63.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.355 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -63.87 -32.31 73.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.483 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 31.2 t80 -75.22 -52.11 11.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.655 HG21 ' CE2' ' A' ' 26' ' ' TYR . 22.1 mm -67.15 -45.88 85.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 97' ' ' ASN . 3.0 tm-20 -50.13 -32.45 15.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -23.99 22.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.398 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.483 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -81.94 -22.54 36.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.487 HG21 ' HB3' ' A' ' 26' ' ' TYR . 65.3 p -114.12 -46.45 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.367 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 100.09 -32.04 7.76 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.609 1.193 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.533 ' CD2' ' HG2' ' A' ' 27' ' ' PRO . 51.5 m-85 -77.02 128.74 35.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.971 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.476 ' O ' ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -101.17 -176.5 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.969 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.02 -22.18 61.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.7 -52.7 34.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.495 ' CD ' ' N ' ' A' ' 111' ' ' ARG . 2.6 pp20? -66.12 -30.44 70.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -50.51 -38.57 45.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -51.25 -30.82 18.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -51.25 -43.41 61.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 0.6 OUTLIER -67.55 -14.7 63.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -97.28 -37.1 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -148.62 123.95 10.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -74.19 -46.47 41.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.9 ttm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.449 0.166 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -108.2 143.91 36.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.449 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 1.7 mt-10 -97.51 134.42 40.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.369 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CD2' HG23 ' A' ' 78' ' ' VAL . 22.1 m-85 -113.21 146.67 35.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 110.947 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 26' ' ' TYR . 18.4 Cg_endo -74.92 165.89 30.4 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.479 1.778 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.723 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.5 t -119.27 139.65 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -84.1 144.94 28.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -72.03 110.58 6.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.58 -35.74 3.75 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.54 1.15 . . . . 0.0 111.045 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 4.5 m-85 -55.71 159.01 5.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.24 28.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.5 p -136.01 27.79 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.98 143.13 45.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.549 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 9.7 m-85 -51.18 -55.36 18.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.67 -49.1 73.84 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.05 -50.75 58.02 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.508 1.13 . . . . 0.0 110.069 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.663 HG23 HD21 ' A' ' 103' ' ' LEU . 11.6 mt -65.96 -39.89 85.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.682 ' CG ' HG21 ' A' ' 50' ' ' VAL . 14.3 mtpt -52.89 -40.92 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.7 mpt_? -75.0 -32.75 61.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.654 ' HG2' HD12 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -66.29 -39.31 89.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.835 ' HA ' HD23 ' A' ' 46' ' ' LEU . 31.9 mt -64.83 -52.46 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.8 t -67.91 -32.25 72.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.048 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.4 mm-40 -61.82 -24.4 66.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.071 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -91.83 -24.47 19.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.351 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.84 31.18 2.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.452 1.095 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 1.071 ' CE2' HD11 ' A' ' 46' ' ' LEU . 12.4 m-30 -119.1 174.93 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.975 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.46 161.52 17.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.178 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.682 HG21 ' CG ' ' A' ' 40' ' ' LYS . 1.4 p -135.37 127.26 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -112.09 144.33 41.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 m -111.07 116.54 31.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.86 93.86 4.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.563 1.165 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.3 -107.65 2.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.542 ' C ' HD23 ' A' ' 56' ' ' LEU . 33.3 m-20 -121.52 -0.04 9.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.244 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.572 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.4 mt -97.47 158.82 15.28 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.549 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.2 tt -106.38 138.76 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.364 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 11.1 mm -117.75 142.62 31.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.57 1.168 . . . . 0.0 109.259 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.71 142.93 46.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.72 108.57 18.49 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.004 HD11 HD12 ' A' ' 64' ' ' ILE . 8.9 pt -132.29 152.27 79.8 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 136.01 19.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.584 1.834 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.53 -25.66 27.01 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.563 1.164 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 1.004 HD12 HD11 ' A' ' 61' ' ' ILE . 18.9 mt -107.62 141.86 21.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -76.75 -62.66 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.959 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -155.1 139.97 17.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.65 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -136.32 151.44 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.606 ' C ' HD12 ' A' ' 69' ' ' ILE . 4.1 mt-10 -116.23 135.74 53.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.748 HG13 HG13 ' A' ' 78' ' ' VAL . 2.5 mp -121.71 144.72 29.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HE3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -138.29 93.48 11.44 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 36' ' ' TYR . 18.4 Cg_endo -74.93 126.68 10.17 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.83 150.76 52.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -55.59 -39.96 71.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -68.31 -68.91 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.248 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.85 -173.27 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.374 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.879 ' C ' HD13 ' A' ' 77' ' ' LEU . 4.8 pt -130.8 163.33 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.879 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -148.93 153.36 37.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.748 HG13 HG13 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -133.01 147.2 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -126.49 118.26 24.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.1 p -102.57 139.87 37.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.95 -99.62 0.75 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -129.07 146.34 51.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 109.357 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.652 ' OH ' HD11 ' A' ' 64' ' ' ILE . 3.8 m-30 -104.29 156.78 17.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.33 112.65 9.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 p -54.64 -30.19 54.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.059 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.34 -50.83 66.24 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.63 147.66 48.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.634 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 48.1 m-20 -70.02 101.19 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.536 ' HA ' HG22 ' A' ' 92' ' ' VAL . 9.3 mtmt -50.76 -28.8 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.06 -36.43 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.184 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -74.86 -51.63 13.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 88' ' ' ASP . 2.5 m -56.47 -27.91 25.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.7 t -72.03 -36.41 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.244 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.462 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -64.41 -27.8 69.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.453 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 2.5 m -86.8 -34.55 19.52 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.462 ' CD1' ' CD1' ' A' ' 64' ' ' ILE . 44.1 t80 -73.79 -35.04 64.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -41.72 70.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.0 -32.66 74.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.654 ' CE1' HD22 ' A' ' 103' ' ' LEU . 2.9 t80 -67.05 -45.95 75.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.447 ' O ' HG23 ' A' ' 104' ' ' THR . 10.1 mm -78.04 -36.04 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.466 ' O ' ' CA ' ' A' ' 105' ' ' GLY . 22.5 tt0 -56.0 -34.05 65.44 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.418 1.074 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -90.48 -15.15 31.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.382 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.663 HD21 HG23 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -88.82 -27.31 21.17 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.603 HG22 HD11 ' A' ' 76' ' ' ILE . 22.0 p -115.55 -32.21 5.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.428 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 101' ' ' GLU . . . 97.51 -37.3 3.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.583 1.177 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -63.03 145.31 55.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 0.756 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.418 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 52.7 p -110.22 167.56 10.1 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.5 -35.89 80.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -26.41 66.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 111' ' ' ARG . 0.5 OUTLIER -69.69 -31.84 70.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.167 . . . . 0.0 110.206 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 114' ' ' MET . 2.2 ttm-85 -50.0 -33.46 18.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -45.22 82.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.227 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -48.93 -49.8 38.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 5.4 ptm -73.5 -16.05 61.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -55.37 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 116' ' ' THR . 9.9 t -144.67 107.34 4.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.738 ' O ' ' OXT' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -82.0 -58.81 2.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.738 ' OXT' ' O ' ' A' ' 117' ' ' LYS . 4.0 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -119.59 125.31 48.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -98.37 123.9 42.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 53.6 m-85 -115.4 146.25 36.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 26' ' ' TYR . 18.1 Cg_endo -75.01 173.48 14.43 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.619 1.852 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.76 ' CG2' HG23 ' A' ' 76' ' ' ILE . 4.0 t -125.7 135.41 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.554 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -81.84 147.07 29.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 10.9 mtpt -70.55 106.35 3.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.05 -47.19 1.05 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 104' ' ' THR . 3.8 m-85 -40.77 159.97 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.803 . . . . 0.0 111.069 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 137.03 21.16 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.453 1.765 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 p -137.25 32.38 2.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.396 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.03 148.98 44.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.633 1.208 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.558 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 7.3 m-85 -55.6 -54.23 46.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -51.68 68.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.98 -52.86 30.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.055 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.965 HG22 HD11 ' A' ' 43' ' ' ILE . 50.8 mt -64.14 -38.58 82.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.534 ' HG2' HG11 ' A' ' 50' ' ' VAL . 16.4 mttm -56.07 -40.82 74.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.472 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.9 mpt_? -74.88 -38.81 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -36.9 85.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.965 HD11 HG22 ' A' ' 39' ' ' ILE . 22.4 mt -66.26 -50.86 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 t -71.3 -24.74 62.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.8 mm-40 -77.65 -23.39 49.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.348 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.924 HD21 ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.13 -23.53 22.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.59 23.46 5.06 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.924 ' CD2' HD21 ' A' ' 46' ' ' LEU . 10.5 m-30 -112.11 171.95 7.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 0.779 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.467 ' CB ' ' HB2' ' A' ' 60' ' ' SER . 0.2 OUTLIER -114.55 161.77 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.534 HG11 ' HG2' ' A' ' 40' ' ' LYS . 2.5 p -141.83 130.48 22.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -114.05 144.59 42.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.612 1.195 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.2 p -101.99 99.99 10.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.79 90.83 3.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.75 -110.8 3.14 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.481 ' C ' HD23 ' A' ' 56' ' ' LEU . 30.6 m-20 -114.67 -4.45 12.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 0.72 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.544 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.2 mt -95.39 160.53 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.535 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.2 tt -108.38 140.3 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 12.7 mm -117.31 130.97 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.48 141.04 36.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.467 ' HB2' ' CB ' ' A' ' 49' ' ' ASP . 2.7 m -112.34 103.91 12.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.047 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.856 HD11 HD13 ' A' ' 64' ' ' ILE . 8.0 pt -121.51 154.56 59.66 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.81 20.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.426 1.75 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.55 -25.42 26.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.578 1.174 . . . . 0.0 111.029 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.856 HD13 HD11 ' A' ' 61' ' ' ILE . 2.3 mp -107.44 150.64 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.394 0.702 . . . . 0.0 109.355 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.9 m -81.96 -62.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.032 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -155.24 141.89 18.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.603 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.69 150.4 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.8 mt-10 -107.79 137.28 46.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.544 HD13 HG13 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -118.48 140.74 40.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.459 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -135.24 88.29 26.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.558 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.4 Cg_endo -74.96 127.5 10.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.58 1.831 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -131.34 149.41 52.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 109.273 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -56.96 -35.27 68.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.68 -63.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.259 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 1.0 OUTLIER -153.78 178.28 10.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.187 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.89 ' C ' HD13 ' A' ' 77' ' ' LEU . 4.2 pt -126.25 158.53 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.89 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -144.78 154.1 42.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.544 HG13 HD13 ' A' ' 69' ' ' ILE . 3.4 t -132.74 149.53 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.393 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -133.52 130.2 38.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.4 p -110.48 163.97 13.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -110.82 -76.06 0.83 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -146.14 138.93 25.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.431 ' HB3' ' CG ' ' A' ' 89' ' ' LYS . 2.9 m-85 -98.56 159.28 15.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 1.183 . . . . 0.0 110.967 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.57 107.21 4.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.551 1.157 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.5 -42.71 71.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.947 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.19 -48.07 77.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.41 130.88 38.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.374 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.418 ' O ' HG13 ' A' ' 92' ' ' VAL . 0.7 OUTLIER -56.24 101.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.798 ' O ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -52.82 -28.66 23.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.202 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.62 -32.28 69.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.11 -50.17 17.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' A' ' 89' ' ' LYS . 1.6 m -63.41 -26.69 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.3 t -62.89 -37.65 79.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 95' ' ' THR . 1.6 ppt_? -68.62 -25.02 64.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.468 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 2.9 m -86.43 -31.78 21.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -74.46 -43.07 57.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.403 1.065 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.9 -39.74 87.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -36.7 84.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 109.366 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.51 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 15.7 t80 -65.29 -51.52 60.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 104' ' ' THR . 46.7 mm -70.46 -39.35 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 105' ' ' GLY . 34.8 tt0 -55.13 -35.07 64.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.03 -25.15 23.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.51 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 1.6 mp -80.61 -18.99 46.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.579 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 74.6 p -115.14 -46.74 2.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.569 ' HA3' ' CZ ' ' A' ' 32' ' ' PHE . . . 107.27 -36.06 4.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.574 1.171 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -62.31 143.63 56.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 111.071 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.471 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -111.53 168.02 9.87 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.134 . . . . 0.0 110.05 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.68 72.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.1 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -31.98 72.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 107' ' ' SER . 0.6 OUTLIER -55.32 -31.44 61.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.16 . . . . 0.0 110.314 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 115' ' ' MET . 0.6 OUTLIER -49.4 -26.38 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.363 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -73.5 -62.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.87 -57.42 2.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' A' ' 115' ' ' MET . 0.0 OUTLIER -59.77 -34.3 72.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.451 ' N ' ' SD ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -66.54 -50.64 62.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.0 p -134.45 116.23 14.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -62.5 -47.18 85.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 109.393 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 109.354 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.9 ttp . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.454 0.169 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.7 148.13 30.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -108.41 128.55 54.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.673 ' CE2' HG21 ' A' ' 100' ' ' ILE . 31.2 m-85 -118.46 144.89 36.12 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.454 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 167.04 27.93 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -117.66 144.18 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -90.0 145.72 24.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -66.77 99.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.372 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.42 -39.32 2.32 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 2.1 m-85 -50.34 161.65 0.59 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 128.51 11.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 34' ' ' THR . 6.7 t -138.38 30.93 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.413 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.03 147.55 50.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.569 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 9.9 m-85 -48.0 -53.79 15.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -60.95 -51.62 68.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -52.8 37.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.812 HG22 HD11 ' A' ' 43' ' ' ILE . 67.8 mt -64.87 -36.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.536 ' HG2' HG21 ' A' ' 50' ' ' VAL . 3.8 mtmt -56.27 -40.38 74.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.239 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.4 mpt_? -76.9 -35.71 57.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -35.26 79.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.9 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.0 mt -65.46 -52.42 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 t -70.51 -34.94 72.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.7 mm-40 -63.6 -25.01 68.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.055 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -86.39 -26.03 24.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.72 29.16 2.96 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.609 1.193 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 1.055 ' CE2' HD11 ' A' ' 46' ' ' LEU . 14.7 m-30 -119.76 176.17 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.806 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.89 162.19 18.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.536 HG21 ' HG2' ' A' ' 40' ' ' LYS . 1.4 p -139.9 133.73 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.067 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -110.75 143.73 40.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.0 p -104.22 102.54 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.946 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.57 96.17 6.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.398 1.061 . . . . 0.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.09 -108.31 2.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.557 ' C ' HD23 ' A' ' 56' ' ' LEU . 25.1 m-20 -117.27 -1.62 11.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.771 HD12 ' OE2' ' A' ' 68' ' ' GLU . 2.7 mt -96.41 154.64 17.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.556 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.5 tt -106.64 138.09 34.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 36.9 mm -117.69 136.81 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.524 ' HB3' ' CG1' ' A' ' 67' ' ' ILE . . . -104.47 139.12 39.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.32 96.28 6.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.074 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.828 HD11 HD12 ' A' ' 64' ' ' ILE . 16.8 pt -121.81 153.03 60.03 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 136.3 20.23 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.523 1.802 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.407 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 99.54 -25.14 29.41 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.828 HD12 HD11 ' A' ' 61' ' ' ILE . 4.3 mt -107.02 162.25 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.41 0.712 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.439 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 31.7 t -96.54 -62.51 1.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.33 135.49 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 110.218 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.524 ' CG1' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -134.56 148.55 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.771 ' OE2' HD12 ' A' ' 56' ' ' LEU . 5.3 mt-10 -108.38 136.57 47.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.474 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -119.37 138.52 49.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -133.05 88.46 36.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -74.9 132.57 15.71 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.17 148.71 46.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -55.57 -43.26 75.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -64.31 0.9 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.748 ' CE ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -150.53 -166.49 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.77 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.0 pt -141.04 155.21 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.804 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -140.21 153.48 46.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.401 1.063 . . . . 0.0 109.284 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.512 HG23 ' CD2' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -133.2 147.2 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.437 ' OD1' ' CB ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -134.89 127.77 31.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.408 ' HA ' HG22 ' A' ' 67' ' ' ILE . 69.5 p -97.53 145.92 25.77 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.457 1.098 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -100.2 -100.02 2.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -115.82 113.73 23.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.594 0.82 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.435 ' O ' ' O ' ' A' ' 84' ' ' ASP . 1.4 m-85 -73.99 160.82 30.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.585 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -44.59 169.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.6 m -99.57 -63.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.26 52.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.585 ' HB3' ' CB ' ' A' ' 84' ' ' ASP . . . -128.72 136.49 50.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.519 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 8.7 m-20 -56.27 102.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.531 ' HA ' HG22 ' A' ' 92' ' ' VAL . 0.2 OUTLIER -49.91 -29.07 7.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.03 -34.8 59.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.519 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -73.08 -51.12 19.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.531 HG22 ' HA ' ' A' ' 89' ' ' LYS . 4.9 m -59.16 -33.37 50.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.9 t -72.7 -44.71 59.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -63.16 -27.35 69.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 16.7 m -86.66 -26.51 24.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.375 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -78.49 -34.55 47.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 93' ' ' VAL . 4.5 m120 -73.01 -41.43 64.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.185 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.64 -37.83 82.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.547 ' CE2' HD22 ' A' ' 103' ' ' LEU . 39.6 t80 -67.12 -48.04 69.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.673 HG21 ' CE2' ' A' ' 26' ' ' TYR . 50.0 mm -70.41 -38.27 73.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.615 1.197 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -54.82 -32.67 60.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.55 -22.51 28.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.547 HD22 ' CE2' ' A' ' 99' ' ' PHE . 5.7 mp -89.16 -13.31 38.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.374 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 100' ' ' ILE . 81.7 p -113.86 -48.79 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.596 1.185 . . . . 0.0 110.454 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.569 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 81.86 3.22 90.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.578 1.174 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.603 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 5.7 m-85 -102.7 126.96 49.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.812 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -87.33 161.44 17.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.953 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.11 -23.5 66.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.362 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -47.48 67.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.603 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 14.7 pt-20 -81.02 -31.57 34.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.44 ' O ' ' CG ' ' A' ' 114' ' ' MET . 6.7 ttm180 -51.07 -43.06 60.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.462 ' O ' HG22 ' A' ' 116' ' ' THR . 3.6 tttp -74.94 -32.98 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -55.39 -46.54 76.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 4.6 ptm -71.0 -4.66 26.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 110.981 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 2.2 mtt -105.22 -44.7 4.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 116' ' ' THR . 10.1 t -103.75 71.51 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.592 1.183 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -71.48 173.48 7.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.378 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.545 ' HE2' ' HB2' ' A' ' 77' ' ' LEU . 7.7 ttt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.503 0.192 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.42 132.47 53.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -87.6 140.38 29.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.297 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.699 ' CD2' HG21 ' A' ' 100' ' ' ILE . 23.4 m-85 -116.92 142.55 30.0 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 26' ' ' TYR . 18.5 Cg_endo -74.94 172.22 16.78 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.444 1.76 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.439 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.1 t -123.41 140.82 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 2.0 tpmt? -99.38 146.45 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 3.7 mptt -64.98 112.15 3.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.24 28.91 2.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 29' ' ' LYS . 17.0 m-85 -131.02 155.0 82.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 138.24 22.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 p -133.84 31.69 3.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.16 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.89 149.64 49.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.161 . . . . 0.0 109.216 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 10.9 m-85 -53.3 -55.31 25.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.572 1.17 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -50.25 74.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 1.086 . . . . 0.0 109.357 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -50.0 -52.96 29.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.058 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.953 HG22 HD11 ' A' ' 43' ' ' ILE . 52.5 mt -64.8 -40.07 87.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.811 ' HG2' HG21 ' A' ' 50' ' ' VAL . 1.6 mtmt -50.11 -37.2 32.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.1 mpt_? -77.44 -39.8 45.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.203 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -63.18 -33.88 76.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.953 HD11 HG22 ' A' ' 39' ' ' ILE . 11.2 mt -69.61 -55.17 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -68.09 -24.08 65.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.2 mm-40 -70.7 -19.98 62.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.821 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -98.11 -21.54 16.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.15 27.85 3.54 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.491 1.119 . . . . 0.0 111.06 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.773 ' CZ ' HD11 ' A' ' 46' ' ' LEU . 9.3 m-30 -113.76 172.11 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.07 161.71 18.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.811 HG21 ' HG2' ' A' ' 40' ' ' LYS . 1.9 p -142.15 127.51 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.608 ' N ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -103.44 142.69 33.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -106.19 88.52 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.956 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -94.78 103.95 15.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.97 -104.88 0.73 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.608 ' C ' HD23 ' A' ' 56' ' ' LEU . 6.5 m-20 -118.61 -0.05 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.608 HD23 ' C ' ' A' ' 55' ' ' ASP . 2.6 mt -99.96 154.83 18.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -115.19 135.03 56.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.478 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 34.1 mm -115.08 131.32 67.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.62 140.55 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.8 t -108.79 104.63 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.904 HD11 HD13 ' A' ' 64' ' ' ILE . 11.0 pt -126.21 152.94 74.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.74 16.97 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.771 . . . . 0.0 111.062 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.56 -25.91 26.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.09 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.904 HD13 HD11 ' A' ' 61' ' ' ILE . 3.1 mp -107.97 148.89 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.736 . . . . 0.0 109.231 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -81.41 -62.71 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -155.12 139.27 16.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.654 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -136.58 152.77 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.478 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 8.3 mt-10 -107.07 135.95 47.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.602 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -121.0 136.9 56.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.474 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.02 88.9 17.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.604 1.19 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.564 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -75.02 130.83 13.62 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.458 1.767 . . . . 0.0 111.066 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.53 148.58 49.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -49.98 -40.13 43.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.74 -67.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.15 -168.46 3.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.07 . . . . 0.0 109.254 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.824 ' C ' HD13 ' A' ' 77' ' ' LEU . 2.7 pt -134.69 158.88 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.824 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -141.32 154.49 45.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.381 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.574 HG13 HD13 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -132.59 147.18 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -129.02 123.99 33.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.442 ' HA ' HG22 ' A' ' 67' ' ' ILE . 75.7 p -97.99 151.69 20.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.46 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.12 -88.21 1.42 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -119.49 119.16 33.04 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.471 0.748 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.43 ' O ' ' O ' ' A' ' 84' ' ' ASP . 1.2 m-85 -83.66 160.81 21.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.591 1.182 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.779 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -45.38 171.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 p -113.35 -55.0 2.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.395 1.059 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.1 1.42 28.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.779 ' HB3' ' CB ' ' A' ' 84' ' ' ASP . . . -111.8 130.24 55.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 91' ' ' ALA . 7.2 m-20 -66.1 106.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.848 ' O ' HG23 ' A' ' 93' ' ' VAL . 2.6 pttt -49.42 -24.82 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.06 -37.13 58.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -73.72 -50.56 20.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.648 HG22 ' HA ' ' A' ' 89' ' ' LYS . 5.0 m -58.35 -32.49 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.637 1.211 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.0 t -52.46 -33.15 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.463 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -66.82 -29.58 69.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.6 m -84.6 -32.47 23.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -74.37 -36.75 63.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.75 -40.63 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.16 -38.29 82.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.275 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.636 ' CE1' HD22 ' A' ' 103' ' ' LEU . 29.3 t80 -64.04 -43.88 94.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.699 HG21 ' CD2' ' A' ' 26' ' ' TYR . 21.5 mm -75.49 -37.72 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -54.97 -34.51 63.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.352 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.62 -17.12 29.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.378 1.049 . . . . 0.0 109.338 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.636 HD22 ' CE1' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -90.05 -16.55 29.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 100' ' ' ILE . 47.4 p -122.72 -42.81 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 32' ' ' PHE . . . 102.42 -33.85 6.21 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.566 ' CE1' ' HE3' ' A' ' 29' ' ' LYS . 31.3 m-85 -63.4 148.01 49.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 0.735 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -110.6 164.67 12.5 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.49 1.118 . . . . 0.0 109.991 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 111' ' ' ARG . . . -61.1 -32.94 72.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -62.03 -30.82 71.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.603 1.189 . . . . 0.0 109.376 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' ' 107' ' ' SER . 0.3 OUTLIER -61.91 -31.5 71.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.552 ' O ' ' CG ' ' A' ' 114' ' ' MET . 1.7 ppt_? -49.33 -33.14 12.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.513 ' O ' ' CG ' ' A' ' 115' ' ' MET . 0.1 OUTLIER -54.7 -41.6 70.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -53.4 -39.16 64.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.213 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.552 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -58.1 -15.94 11.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.513 ' CG ' ' O ' ' A' ' 112' ' ' LYS . 3.6 ptm -66.48 -18.07 65.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.7 p -84.47 49.82 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.393 1.058 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.22 86.42 7.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.5 ttp . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.443 0.163 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -113.12 138.4 49.99 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.538 1.149 . . . . 0.0 110.198 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -100.09 134.62 42.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' HG23 ' A' ' 78' ' ' VAL . 16.0 m-85 -121.98 143.3 38.39 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 175.08 11.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.4 p -130.14 139.94 50.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.602 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -85.8 146.66 26.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -69.12 116.53 9.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.371 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.12 -27.03 8.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.602 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 5.6 m-85 -66.02 160.56 62.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.394 0.702 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 131.26 14.08 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.463 ' O ' HG22 ' A' ' 34' ' ' THR . 1.1 m -125.85 5.29 7.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -96.88 139.73 32.49 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.485 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.9 m-85 -48.32 -55.04 11.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.611 1.194 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -45.51 88.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.6 m -52.84 -45.87 67.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.547 ' CG2' HD21 ' A' ' 103' ' ' LEU . 13.6 mt -69.43 -37.32 74.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.635 1.21 . . . . 0.0 109.355 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.51 -36.42 61.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 109.361 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.1 mpt_? -77.26 -33.39 55.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -65.84 -43.23 89.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.8 ' HA ' HD23 ' A' ' 46' ' ' LEU . 20.0 mt -61.35 -54.49 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.0 t -65.54 -34.17 77.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.943 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -58.1 -36.13 72.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.042 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -80.67 -25.86 37.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.77 34.61 1.67 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.432 1.082 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 1.042 ' CE2' HD11 ' A' ' 46' ' ' LEU . 10.8 m-30 -119.97 172.39 7.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.759 . . . . 0.0 111.046 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.71 161.09 16.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.11 129.32 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.632 1.208 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -113.35 146.6 39.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.5 p -104.08 114.59 28.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.932 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -111.98 95.48 5.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.36 -102.24 0.65 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.449 1.093 . . . . 0.0 111.041 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.524 ' C ' HD23 ' A' ' 56' ' ' LEU . 11.7 m-20 -118.6 -1.43 11.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 109.379 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.539 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.5 mt -97.73 159.15 15.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.485 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -107.57 139.33 29.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.157 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 10.2 mm -119.19 137.99 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.66 144.09 36.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.225 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.5 104.47 12.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.079 HD11 HD12 ' A' ' 64' ' ' ILE . 9.2 pt -129.87 146.9 63.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.366 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 61' ' ' ILE . 18.5 Cg_endo -74.98 137.43 21.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.437 1.756 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.495 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 100.13 -24.46 32.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 1.079 HD12 HD11 ' A' ' 61' ' ' ILE . 5.7 mt -106.49 159.77 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.42 0.718 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.1 t -92.37 -62.33 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 110.029 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.02 139.91 17.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.511 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.07 144.13 31.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.578 ' C ' HD12 ' A' ' 69' ' ' ILE . 7.2 mt-10 -114.31 138.26 50.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.601 1.188 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.69 HG13 HG13 ' A' ' 78' ' ' VAL . 2.6 mp -123.84 144.18 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.452 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -136.87 92.2 14.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.463 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.0 Cg_endo -75.06 127.21 10.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.31 149.95 50.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.403 1.064 . . . . 0.0 109.383 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -52.57 -29.01 23.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.396 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -79.1 -65.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.11 -166.66 2.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.874 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.8 pt -134.57 157.32 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.874 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -142.2 154.14 44.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.69 HG13 HG13 ' A' ' 69' ' ' ILE . 0.7 OUTLIER -133.22 148.27 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -131.44 122.74 26.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 47.0 p -101.49 144.91 29.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.437 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.85 -95.17 0.49 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -143.31 106.43 4.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.508 0.769 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.421 ' CD2' HG21 ' A' ' 92' ' ' VAL . 4.5 m-30 -58.54 156.79 10.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.61 118.99 21.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.88 -51.38 69.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -44.95 -40.97 6.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.219 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.21 152.1 34.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.474 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 3.1 m-20 -74.78 103.01 4.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.53 ' HA ' HG22 ' A' ' 92' ' ' VAL . 10.2 mttp -49.13 -28.5 4.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.478 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.2 OUTLIER -76.41 -36.72 57.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.176 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.474 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -69.24 -51.87 33.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 109.212 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 89' ' ' LYS . 35.6 m -56.99 -52.52 54.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.511 ' N ' HG23 ' A' ' 92' ' ' VAL . 3.5 t -55.69 -40.35 59.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 90' ' ' LEU . 9.3 mmt85 -62.44 -32.88 73.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.0 m -85.34 -40.16 16.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.406 ' CE1' HG13 ' A' ' 100' ' ' ILE . 29.5 t80 -65.41 -41.82 93.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.157 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -63.34 -40.88 98.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -59.77 -36.08 75.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.681 ' CE1' HD22 ' A' ' 103' ' ' LEU . 2.9 t80 -74.75 -47.15 32.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.504 HD12 HG21 ' A' ' 78' ' ' VAL . 33.7 mm -66.04 -49.46 76.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -50.59 -31.32 15.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -83.27 -24.91 32.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.681 HD22 ' CE1' ' A' ' 99' ' ' PHE . 1.9 mp -90.0 -13.54 35.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 100' ' ' ILE . 38.2 p -111.61 -34.1 6.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.583 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 65.48 9.32 43.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.591 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 3.0 m-85 -112.01 127.35 55.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 100.0 p -88.98 165.42 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.32 -23.03 66.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -50.1 43.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.591 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 12.5 pt-20 -79.29 -39.62 32.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.419 ' CG ' ' HB3' ' A' ' 106' ' ' TYR . 25.6 mtm180 -51.22 -40.69 59.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.242 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 116' ' ' THR . 0.3 OUTLIER -75.99 -29.19 58.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 16.4 mttm -59.61 -42.8 93.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.388 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -8.78 25.34 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.36 -38.06 7.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.117 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 116' ' ' THR . 6.5 t -98.04 101.84 13.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -42.91 157.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.601 1.188 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' A' ' 78' ' ' VAL . 23.0 ttm . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.563 0.22 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.52 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -96.95 139.66 32.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 110.238 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -93.37 163.92 13.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.61 ' HD2' HG13 ' A' ' 78' ' ' VAL . 46.9 m-85 -163.28 137.93 4.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.6 Cg_endo -74.9 168.93 23.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.7 p -125.39 145.3 32.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -89.15 147.0 24.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.366 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 15.7 tttm -73.7 100.42 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.64 -39.54 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.594 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 2.1 m-85 -46.2 167.0 0.15 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.497 0.763 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.425 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.1 Cg_endo -75.08 130.31 13.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.4 p -130.17 21.82 5.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.47 141.98 48.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.567 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.0 m-85 -47.57 -56.27 7.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -56.67 -46.29 81.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.425 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 3.0 m -55.88 -50.24 71.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.471 ' CG2' HD21 ' A' ' 103' ' ' LEU . 56.3 mt -68.17 -33.62 61.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.374 1.047 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.898 ' HG3' HG21 ' A' ' 50' ' ' VAL . 3.1 mtpt -56.99 -42.52 80.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.16 . . . . 0.0 109.338 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.3 mpt_? -71.35 -32.11 68.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -64.53 -40.58 95.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.845 ' HA ' HD23 ' A' ' 46' ' ' LEU . 17.8 mt -61.72 -55.21 25.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.415 1.072 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 t -66.55 -34.4 77.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 110.058 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 2.0 mm-40 -64.08 -26.52 68.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 0.0 110.313 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.909 HD21 ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.6 -21.85 22.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.079 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.66 25.33 5.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.373 1.046 . . . . 0.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.909 ' CD2' HD21 ' A' ' 46' ' ' LEU . 10.7 m-30 -113.7 177.82 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.23 160.28 23.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.898 HG21 ' HG3' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -138.4 137.04 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -113.99 144.33 43.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -99.91 99.52 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -108.29 115.8 30.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 52.39 -109.06 0.79 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.589 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -121.52 3.78 10.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.798 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.691 HD12 ' OE2' ' A' ' 68' ' ' GLU . 2.6 mt -99.47 157.67 16.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.567 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.7 OUTLIER -103.16 133.98 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.078 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.803 HG21 ' HD3' ' A' ' 66' ' ' ARG . 24.0 mm -114.19 127.42 71.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.0 133.85 49.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.387 1.054 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 t -102.7 112.52 25.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 110.049 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.896 HD11 HD13 ' A' ' 64' ' ' ILE . 8.7 pt -133.37 153.9 80.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.78 22.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.46 -26.74 22.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.896 HD13 HD11 ' A' ' 61' ' ' ILE . 3.1 mp -108.56 156.49 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -89.63 -61.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.803 ' HD3' HG21 ' A' ' 58' ' ' ILE . 2.1 mtm-85 -154.7 135.67 13.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.708 HD12 HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -133.24 153.58 37.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.691 ' OE2' HD12 ' A' ' 56' ' ' LEU . 4.7 mt-10 -115.58 137.46 52.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.589 HD13 ' C ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -120.95 143.43 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.417 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 2.5 mppt? -137.89 92.19 12.89 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HG3' HD12 ' A' ' 39' ' ' ILE . 18.0 Cg_endo -75.05 138.33 22.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.86 148.67 37.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -63.32 -18.45 63.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -90.39 -65.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.75 -175.19 4.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.982 HD11 HG22 ' A' ' 104' ' ' THR . 1.3 pt -132.57 150.75 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.841 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.08 156.53 48.59 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.61 HG13 ' HD2' ' A' ' 26' ' ' TYR . 4.3 m -126.27 143.8 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -136.77 111.89 9.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.2 p -94.72 168.28 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.09 -72.89 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -134.54 133.75 40.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.532 ' CE2' HG23 ' A' ' 92' ' ' VAL . 0.6 OUTLIER -98.16 160.86 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.889 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -43.55 167.72 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.563 1.164 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 m -111.43 -45.07 3.43 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.367 1.042 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.74 -18.97 25.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.889 ' HB3' ' CB ' ' A' ' 84' ' ' ASP . . . -86.72 122.18 30.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.359 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.464 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 1.8 m-20 -53.86 108.09 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.876 ' O ' HG23 ' A' ' 93' ' ' VAL . 24.3 mttm -48.44 -45.46 36.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.597 1.186 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.9 -27.2 68.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.263 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -75.77 -51.27 13.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.532 HG23 ' CE2' ' A' ' 83' ' ' TYR . 4.7 m -69.02 -21.72 25.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.2 t -57.32 -41.07 77.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.499 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -64.68 -26.88 68.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.1 m -86.57 -30.48 21.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.529 ' HB2' HD11 ' A' ' 64' ' ' ILE . 47.9 t80 -65.89 -49.4 68.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 101' ' ' GLU . 7.9 m-20 -68.55 -37.87 80.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -52.95 -40.89 64.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.658 ' CE1' HD22 ' A' ' 103' ' ' LEU . 13.5 t80 -67.95 -38.66 83.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.909 ' O ' HG23 ' A' ' 104' ' ' THR . 10.7 mm -74.85 -31.12 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -60.39 -35.21 75.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -19.81 33.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.658 HD22 ' CE1' ' A' ' 99' ' ' PHE . 2.5 mp -91.38 -11.8 36.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.982 HG22 HD11 ' A' ' 76' ' ' ILE . 60.7 p -116.3 -42.79 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.594 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 82.52 6.31 88.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.113 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.487 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 6.2 m-85 -103.01 126.27 50.12 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.546 0.792 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.96 168.74 10.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.08 -21.91 66.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.47 -52.22 28.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.429 ' CD ' ' HA ' ' A' ' 106' ' ' TYR . 11.0 pt-20 -80.71 -31.92 35.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.436 ' O ' ' CG ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -51.2 -41.97 60.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -75.5 -34.96 60.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -52.75 -46.82 67.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -66.85 -8.24 27.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.96 15.37 28.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 85.7 m -95.35 -38.38 10.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -51.9 61.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.419 1.074 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.9 t0 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.55 0.214 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -105.1 128.79 53.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.362 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -97.88 128.27 44.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.495 ' HB3' HG21 ' A' ' 104' ' ' THR . 24.4 m-85 -117.14 149.31 44.13 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.531 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.1 Cg_endo -75.07 169.62 22.2 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.909 ' CG2' HG23 ' A' ' 76' ' ' ILE . 15.5 t -129.72 128.59 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.258 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -70.06 144.48 52.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 15.1 mttt -67.37 105.6 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.2 -43.85 1.42 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 2.4 m-85 -42.66 165.77 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.443 0.731 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 131.73 14.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.782 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.477 ' CG2' HG11 ' A' ' 28' ' ' VAL . 38.5 p -135.12 27.34 3.52 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -121.32 148.15 44.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.559 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 9.4 m-85 -55.72 -52.11 65.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.98 -48.02 81.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -56.28 -52.98 62.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.634 1.209 . . . . 0.0 110.063 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.91 HG22 HD11 ' A' ' 43' ' ' ILE . 48.0 mt -64.19 -39.41 85.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.827 ' HG3' HG11 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -50.68 -48.29 58.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.51 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.7 mpt_? -77.18 -29.73 54.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -39.0 90.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.91 HD11 HG22 ' A' ' 39' ' ' ILE . 9.4 mt -66.88 -53.12 37.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -67.79 -26.39 66.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -64.95 -19.18 65.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.074 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -96.42 -21.42 17.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.601 1.188 . . . . 0.0 109.248 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.37 32.57 2.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.404 1.065 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 1.074 ' CE2' HD11 ' A' ' 46' ' ' LEU . 11.2 m-30 -118.78 177.61 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.29 162.39 17.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.827 HG11 ' HG3' ' A' ' 40' ' ' LYS . 2.6 p -138.95 128.99 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -114.36 144.71 42.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 p -102.61 116.2 32.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.938 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -117.59 90.98 3.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.339 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.16 -106.5 1.99 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.435 ' C ' HD23 ' A' ' 56' ' ' LEU . 6.3 m-20 -118.48 -0.71 11.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 0.774 . . . . 0.0 109.233 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.54 HD12 ' OE2' ' A' ' 68' ' ' GLU . 3.8 mt -96.83 160.2 14.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.516 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -105.54 139.63 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 23.6 mm -119.91 132.66 69.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.57 139.64 43.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.57 1.169 . . . . 0.0 109.228 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.15 101.33 10.12 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.443 1.09 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.792 HG22 ' CD2' ' A' ' 48' ' ' PHE . 14.8 pt -122.66 153.21 62.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.57 ' HD3' ' CE1' ' A' ' 48' ' ' PHE . 18.2 Cg_endo -75.03 134.16 17.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.409 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 100.5 -25.46 28.22 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.56 1.163 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.784 HD13 ' CD1' ' A' ' 61' ' ' ILE . 4.0 mp -107.42 151.13 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -86.57 -62.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -155.3 138.32 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.763 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.7 144.33 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.394 1.059 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.813 ' C ' HD12 ' A' ' 69' ' ' ILE . 3.9 mt-10 -106.55 136.79 45.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.92 HG13 HG13 ' A' ' 78' ' ' VAL . 3.0 mp -125.36 141.23 45.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.498 ' HE3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -136.31 93.1 15.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.364 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.559 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.1 Cg_endo -75.01 129.17 12.09 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.802 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.79 149.84 52.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.247 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -52.89 -28.42 23.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.443 ' CD ' ' HE2' ' A' ' 75' ' ' LYS . 7.5 ttm180 -77.87 -67.78 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' HE2' ' CD ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -153.04 -172.05 4.12 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.604 1.19 . . . . 0.0 109.396 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.909 HG23 ' CG2' ' A' ' 28' ' ' VAL . 7.2 pt -128.39 162.34 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.855 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -149.84 151.17 33.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.544 1.153 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.92 HG13 HG13 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -133.5 146.71 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 3.1 p-10 -136.47 132.86 35.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.636 HG22 HG22 ' A' ' 67' ' ' ILE . 58.3 p -106.75 165.72 11.11 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.416 1.073 . . . . 0.0 110.404 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.78 -82.03 0.9 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.607 1.192 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -130.9 105.73 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.443 ' O ' ' O ' ' A' ' 84' ' ' ASP . 1.4 m-85 -60.73 161.44 7.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.888 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -45.4 172.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.9 p -108.22 -63.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -27.44 61.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.888 ' HB3' ' CB ' ' A' ' 84' ' ' ASP . . . -69.4 125.86 27.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 109.365 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.4 m-20 -61.76 107.48 0.84 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -49.59 -25.43 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.33 -35.29 58.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -75.37 -51.79 12.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' A' ' 89' ' ' LYS . 4.1 m -54.83 -34.47 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.7 t -58.17 -44.48 87.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.365 1.041 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.9 mmm-85 -63.36 -31.46 72.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.191 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.1 m -85.3 -26.18 26.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.47 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.588 ' HB2' HD11 ' A' ' 64' ' ' ILE . 43.4 t80 -74.49 -55.63 5.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -58.41 -39.02 78.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -54.98 -38.73 68.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 0.0 109.39 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.647 ' CE1' HD22 ' A' ' 103' ' ' LEU . 6.6 t80 -75.75 -38.86 58.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.562 HD12 HG21 ' A' ' 78' ' ' VAL . 15.2 mm -68.96 -52.49 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' GLY . 86.6 mt-10 -49.76 -27.57 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.349 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.43 -27.19 24.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.647 HD22 ' CE1' ' A' ' 99' ' ' PHE . 3.5 mp -89.19 -15.0 34.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.823 HG22 HD11 ' A' ' 76' ' ' ILE . 22.5 p -113.17 -33.74 5.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.472 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.578 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 73.87 2.05 60.46 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.401 1.063 . . . . 0.0 111.059 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.602 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 3.6 m-85 -106.99 128.48 54.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 p -92.52 170.82 9.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.948 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.22 -22.4 62.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.392 1.058 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -51.25 35.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.602 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 13.8 pt-20 -76.0 -40.39 53.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -50.46 -37.63 39.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 110.343 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -17.47 9.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 110' ' ' GLU . 6.3 mmtt -55.48 -38.88 69.69 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -82.44 -1.76 51.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.51 -22.08 13.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.069 . . . . 0.0 110.993 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.79 99.93 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.089 . . . . 0.0 110.476 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.73 40.84 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.592 1.183 . . . . 0.0 109.299 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 78' ' ' VAL . 1.2 ttt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.508 0.194 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.6 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -121.44 143.21 49.37 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HG3' ' CE ' ' A' ' 23' ' ' MET . 1.0 OUTLIER -106.28 126.76 52.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.359 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.981 ' CE2' HG21 ' A' ' 100' ' ' ILE . 76.1 m-85 -115.13 143.74 30.83 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.535 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.4 Cg_endo -74.92 -174.5 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.612 1.849 . . . . 0.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.832 HG23 HG23 ' A' ' 76' ' ' ILE . 1.7 t -131.51 142.7 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.581 1.176 . . . . 0.0 109.39 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.522 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -94.47 143.61 26.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -67.41 99.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.7 -43.0 1.36 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 3.2 m-85 -48.37 157.69 0.67 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.446 0.733 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.434 ' CB ' ' HB2' ' A' ' 38' ' ' SER . 18.4 Cg_endo -75.01 136.97 21.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.7 p -128.79 33.15 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.43 162.21 24.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 6.9 m-85 -68.23 -48.6 64.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -52.43 65.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 33' ' ' PRO . 80.8 p -49.93 -52.91 29.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.596 1.185 . . . . 0.0 110.03 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.46 -40.76 89.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 109.409 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.724 ' HG2' HG21 ' A' ' 50' ' ' VAL . 5.6 mtpm? -53.06 -45.38 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' GLU . 1.9 mpt_? -68.7 -35.18 76.84 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.407 1.067 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -64.73 -39.35 93.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.926 ' HA ' HD23 ' A' ' 46' ' ' LEU . 37.0 mt -64.69 -50.32 76.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -71.2 -25.23 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.048 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' ARG . 1.1 mm-40 -77.94 -20.96 51.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.926 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -92.26 -19.76 21.84 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.148 . . . . 0.0 109.371 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.07 21.22 7.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.433 1.083 . . . . 0.0 111.026 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.923 ' CD2' HD21 ' A' ' 46' ' ' LEU . 11.7 m-30 -112.04 178.03 4.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.37 160.9 22.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 0.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.724 HG21 ' HG2' ' A' ' 40' ' ' LYS . 2.4 p -140.4 130.5 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -111.28 144.56 40.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.6 m -107.94 98.66 8.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.952 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -101.54 89.76 3.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.337 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.27 -111.12 3.22 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.507 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -115.8 -1.13 12.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.542 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -96.59 159.79 14.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.661 HD11 ' HG3' ' A' ' 40' ' ' LYS . 1.2 tt -110.36 141.25 26.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.08 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 14.2 mm -124.56 128.55 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.93 135.51 39.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.22 96.8 6.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.821 HG22 ' CD2' ' A' ' 48' ' ' PHE . 10.4 pt -119.43 152.79 53.33 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.185 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.32 16.49 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.441 1.758 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.02 -24.85 30.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.755 HD13 ' CD1' ' A' ' 61' ' ' ILE . 3.4 mp -107.07 148.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.9 t -83.3 -62.23 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 110.048 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.88 141.41 18.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.754 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -141.52 151.38 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.802 ' C ' HD13 ' A' ' 69' ' ' ILE . 8.9 mt-10 -110.22 142.19 42.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.802 HD13 ' C ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -127.31 136.68 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.227 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -138.49 91.25 12.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.53 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.7 Cg_endo -74.94 135.61 19.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -134.4 147.7 50.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.218 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -54.76 -31.61 58.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.159 . . . . 0.0 109.356 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.23 -69.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -146.5 178.94 7.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 1.045 HD11 HG22 ' A' ' 104' ' ' THR . 4.0 pt -124.59 157.82 32.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.822 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -139.12 152.96 47.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 24' ' ' ARG . 4.8 m -123.78 138.74 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -129.27 115.35 17.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.0 p -99.13 173.3 6.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -126.46 -74.56 0.21 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -139.51 135.89 33.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.417 0.716 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 84' ' ' ASP . 1.3 m-85 -91.56 161.78 14.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.416 1.072 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' A' ' 83' ' ' TYR . 2.4 m-20 -48.65 179.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.04 -55.33 2.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.04 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -101.04 48.5 0.89 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -128.81 130.32 46.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.55 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 3.1 m-20 -51.56 107.04 0.16 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.478 ' HA ' HG22 ' A' ' 92' ' ' VAL . 22.9 mttp -48.21 -26.55 1.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.422 HD23 HH12 ' A' ' 94' ' ' ARG . 0.4 OUTLIER -77.42 -47.84 18.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -61.34 -52.88 62.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 89' ' ' LYS . 23.3 m -53.43 -44.25 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.61 -37.91 75.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.488 ' HA ' ' ND2' ' A' ' 97' ' ' ASN . 5.8 mmt85 -65.51 -34.82 79.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -85.83 -25.26 26.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.569 ' HB2' HD11 ' A' ' 64' ' ' ILE . 65.1 t80 -80.97 -51.68 8.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.504 ' OD1' ' C ' ' A' ' 97' ' ' ASN . 0.9 OUTLIER -65.96 -37.02 84.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 17.9 t70 -63.91 -39.52 94.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.536 1.147 . . . . 0.0 109.367 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.697 ' CE2' HD22 ' A' ' 103' ' ' LEU . 39.6 t80 -64.94 -48.82 72.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.981 HG21 ' CE2' ' A' ' 26' ' ' TYR . 14.9 mm -65.46 -42.52 93.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -51.98 -35.6 46.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.239 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.36 -28.28 31.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.697 HD22 ' CE2' ' A' ' 99' ' ' PHE . 4.5 mp -81.13 -17.2 50.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.216 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . 1.045 HG22 HD11 ' A' ' 76' ' ' ILE . 66.7 p -108.63 -37.33 5.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.587 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 89.31 -30.11 5.76 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.535 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 4.1 m-85 -72.76 126.95 31.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.04 169.87 10.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.91 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.7 -22.88 66.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -69.4 -50.28 47.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.411 1.07 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.44 ' CD ' ' HA ' ' A' ' 106' ' ' TYR . 16.0 pt-20 -80.93 -31.42 35.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -47.47 59.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -37.42 77.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 18.2 mttt -51.05 -33.64 26.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 85.2 mmm -67.3 -48.24 68.2 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.387 1.054 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.5 ttm -57.82 -37.34 73.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.4 p -110.56 76.61 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -82.9 -10.68 58.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.438 0.161 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.503 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 3.2 mmp_? -95.98 142.98 27.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.458 1.099 . . . . 0.0 110.147 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.71 123.96 47.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.442 ' CD2' HG21 ' A' ' 100' ' ' ILE . 16.2 m-85 -119.46 146.87 42.14 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.537 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.4 Cg_endo -74.99 170.0 21.39 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.786 HG21 HG22 ' A' ' 34' ' ' THR . 14.9 p -129.27 119.68 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.597 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -60.86 146.14 47.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -70.97 106.98 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 124.32 -45.1 1.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.599 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 3.7 m-85 -42.62 165.28 0.1 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.547 0.793 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.45 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.6 Cg_endo -74.93 130.3 13.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.781 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.786 HG22 HG21 ' A' ' 28' ' ' VAL . 15.5 p -130.22 27.05 5.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -120.84 145.64 47.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.523 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 8.6 m-85 -49.97 -54.87 17.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -60.01 -48.86 79.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.45 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 4.6 m -50.44 -52.9 33.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.787 HG22 HD11 ' A' ' 43' ' ' ILE . 55.2 mt -65.01 -37.81 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.682 ' CG ' HG11 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -54.83 -39.36 68.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.3 mpt_? -76.98 -35.58 57.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.595 1.184 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -33.99 76.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.88 ' HA ' HD23 ' A' ' 46' ' ' LEU . 17.9 mt -68.07 -51.39 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -70.99 -31.39 67.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 2.5 mm-40 -66.72 -21.87 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.248 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.048 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.98 -24.7 21.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.97 27.23 3.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.429 1.081 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 1.048 ' CE2' HD11 ' A' ' 46' ' ' LEU . 15.1 m-30 -118.08 177.84 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 111.048 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.2 OUTLIER -116.57 162.01 18.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.682 HG11 ' CG ' ' A' ' 40' ' ' LYS . 2.1 p -142.38 129.3 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -109.43 143.43 39.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.229 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -104.35 102.96 12.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.02 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -104.9 115.11 29.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 53.65 -107.84 0.69 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.473 ' C ' HD23 ' A' ' 56' ' ' LEU . 65.0 m-20 -117.13 -2.18 11.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 0.793 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.53 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -95.69 161.94 13.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.523 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -111.13 143.08 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.324 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.504 ' O ' HG23 ' A' ' 50' ' ' VAL . 7.3 mm -123.68 137.5 56.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.379 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.98 141.93 38.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -111.94 100.72 9.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.684 ' CD1' HD13 ' A' ' 64' ' ' ILE . 11.5 pt -121.07 156.29 57.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.548 ' HD3' ' CE1' ' A' ' 48' ' ' PHE . 18.3 Cg_endo -75.01 131.26 14.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.57 -26.51 24.31 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.134 . . . . 0.0 110.961 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.684 HD13 ' CD1' ' A' ' 61' ' ' ILE . 4.1 mp -108.37 140.75 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.96 -62.74 1.4 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.51 140.93 17.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.673 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -137.32 151.01 26.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.352 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.3 mt-10 -106.64 137.18 45.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.278 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.506 HD13 HG13 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -119.24 138.65 49.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.473 ' CB ' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -135.22 88.35 26.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 134.71 18.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 1.6 t0 -138.59 148.0 43.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -56.41 -30.02 62.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.412 ' N ' ' HG2' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -80.53 -64.89 1.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.276 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -150.64 -174.38 4.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.927 HD11 HG22 ' A' ' 104' ' ' THR . 1.7 pt -134.45 156.8 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.924 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -142.23 155.06 45.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.506 HG13 HD13 ' A' ' 69' ' ' ILE . 2.0 t -133.14 149.05 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -131.94 133.91 45.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.1 p -110.02 138.57 46.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.378 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.24 -93.59 1.8 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.89 110.51 17.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 84' ' ' ASP . 1.2 m-85 -67.06 160.84 25.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.913 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -44.15 168.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.13 -53.81 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.037 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.32 -23.68 40.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.913 ' HB3' ' CB ' ' A' ' 84' ' ' ASP . . . -78.48 127.89 32.81 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.585 ' O ' HG13 ' A' ' 92' ' ' VAL . 12.1 m-20 -61.24 106.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 0.0 109.191 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.952 ' O ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -49.04 -30.17 5.93 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.441 1.088 . . . . 0.0 109.379 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tp -76.37 -34.13 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -75.24 -52.47 10.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.406 1.066 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 88' ' ' ASP . 2.8 m -53.37 -31.24 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.952 HG23 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -55.82 -40.7 63.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.382 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.492 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -62.68 -31.11 71.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 0.0 110.385 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 23.5 m -85.87 -30.54 22.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 1.046 . . . . 0.0 110.353 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.572 ' HB2' HD11 ' A' ' 64' ' ' ILE . 82.4 t80 -68.42 -45.82 71.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.49 -38.55 77.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -55.41 -37.71 67.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.389 1.056 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.543 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 11.1 t80 -72.54 -52.73 14.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.442 HG21 ' CD2' ' A' ' 26' ' ' TYR . 30.7 mm -58.58 -34.38 51.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 105' ' ' GLY . 24.9 tt0 -55.88 -43.14 76.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.233 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.08 -17.83 30.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.073 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.738 HD11 HG23 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -80.22 -28.81 38.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.248 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.927 HG22 HD11 ' A' ' 76' ' ' ILE . 71.6 p -112.38 -34.58 5.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.103 . . . . 0.0 110.386 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.599 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 92.71 -25.48 18.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.605 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 12.4 m-85 -79.48 125.11 29.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.735 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -83.49 160.87 21.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 111' ' ' ARG . . . -64.54 -21.09 66.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -45.69 56.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.605 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 14.3 pt-20 -80.4 -32.76 37.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.528 ' C ' ' CD ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -50.99 -35.7 35.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.49 ' N ' ' HG3' ' A' ' 111' ' ' ARG . 0.1 OUTLIER -51.95 -22.86 4.27 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -46.37 -35.03 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.7 mtm -64.62 -36.39 84.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -78.18 -47.16 18.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.646 1.216 . . . . 0.0 111.022 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 87.4 m -110.3 86.62 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.64 166.72 13.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.246 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.453 ' HE2' ' HB2' ' A' ' 79' ' ' ASN . 1.9 ttt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.477 0.18 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' HD2' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -109.78 142.91 40.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 110.335 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.97 124.23 47.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.58 ' HB3' HG21 ' A' ' 104' ' ' THR . 50.1 m-85 -115.91 139.54 25.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.947 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.545 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 164.95 32.32 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.695 ' CG2' HG23 ' A' ' 76' ' ' ILE . 6.7 t -121.37 135.14 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -80.27 143.55 33.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 3.8 ttmt -65.76 107.71 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 121.26 -41.3 1.92 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 2.6 m-85 -47.82 162.35 0.32 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.591 0.818 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.3 Cg_endo -75.08 131.36 14.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.812 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 p -133.48 26.53 4.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.41 144.43 45.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.573 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 7.7 m-85 -48.84 -54.57 14.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -57.78 -47.09 83.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.381 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.42 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 61.9 m -52.82 -52.89 55.22 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.438 1.087 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.808 HG22 HD11 ' A' ' 43' ' ' ILE . 11.5 mt -64.28 -37.84 80.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.941 ' HG2' HG21 ' A' ' 50' ' ' VAL . 7.7 mttm -53.35 -41.82 66.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -77.24 -32.53 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -66.4 -38.84 88.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.808 HD11 HG22 ' A' ' 39' ' ' ILE . 9.3 mt -63.44 -55.05 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.166 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.9 t -65.77 -34.83 79.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.41 -31.62 66.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.039 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -83.62 -25.26 30.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.77 33.54 1.86 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 1.039 ' CE2' HD11 ' A' ' 46' ' ' LEU . 11.1 m-30 -119.5 178.29 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.5 162.29 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.941 HG21 ' HG2' ' A' ' 40' ' ' LYS . 2.7 p -139.59 129.01 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.389 1.056 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -111.73 144.54 40.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.88 114.53 28.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -114.65 91.6 3.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.51 -104.52 1.38 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.435 1.084 . . . . 0.0 110.976 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.491 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -118.17 -1.71 11.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.756 . . . . 0.0 109.356 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.526 ' N ' HD23 ' A' ' 56' ' ' LEU . 3.0 mt -96.41 158.78 15.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.557 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -107.18 138.42 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.495 HD13 ' HG3' ' A' ' 68' ' ' GLU . 6.3 mm -120.37 137.09 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.469 ' HB3' ' CG1' ' A' ' 67' ' ' ILE . . . -106.14 147.22 29.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.56 106.86 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.026 HD11 HD13 ' A' ' 64' ' ' ILE . 7.1 pt -129.95 152.73 80.44 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 136.17 20.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 97.61 -26.22 24.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 1.026 HD13 HD11 ' A' ' 61' ' ' ILE . 1.6 mp -108.02 147.25 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.356 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -79.85 -62.19 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.097 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.3 144.57 21.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.562 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -137.32 149.7 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.232 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.602 ' C ' HD12 ' A' ' 69' ' ' ILE . 4.6 mt-10 -115.2 136.6 52.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.205 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.666 HG13 HG13 ' A' ' 78' ' ' VAL . 3.3 mp -128.27 144.59 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.351 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 2.0 mppt? -135.33 91.41 18.96 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -74.91 126.02 9.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.778 . . . . 0.0 111.085 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.4 152.63 48.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -54.01 -36.6 63.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -67.97 0.47 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 1.147 . . . . 0.0 110.234 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.39 -177.92 6.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 109.347 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.838 ' C ' HD13 ' A' ' 77' ' ' LEU . 6.8 pt -125.45 160.2 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.838 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -147.12 152.47 38.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.813 HG21 HD12 ' A' ' 100' ' ' ILE . 3.2 t -133.35 149.18 31.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.453 ' HB2' ' HE2' ' A' ' 23' ' ' MET . 4.6 t-20 -134.48 123.42 23.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.4 p -95.85 133.88 39.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.21 -89.12 0.06 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.528 1.142 . . . . 0.0 111.051 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.76 107.85 4.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 0.732 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -63.86 155.09 31.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.437 ' HB2' ' HB3' ' A' ' 87' ' ' ALA . 1.1 m-20 -69.09 112.8 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.389 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.95 -29.67 68.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.927 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.04 19.2 5.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 84' ' ' ASP . . . -128.62 135.6 49.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.837 ' O ' HG22 ' A' ' 92' ' ' VAL . 13.0 m-20 -51.15 105.16 0.09 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.396 1.06 . . . . 0.0 109.39 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.532 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 2.4 mttt -58.98 -23.05 61.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 94' ' ' ARG . 7.0 mp -77.92 -49.53 14.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -54.67 -54.42 41.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 88' ' ' ASP . 2.6 m -55.12 -42.18 63.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.53 -36.92 77.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' LEU . 9.7 mmt180 -66.82 -39.4 87.68 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.617 1.198 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -83.15 -28.92 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 110.443 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 40.1 t80 -77.53 -34.31 53.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -66.42 -44.74 82.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -56.36 -37.29 69.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.752 ' CE1' HD22 ' A' ' 103' ' ' LEU . 25.7 t80 -69.08 -41.01 78.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.408 1.068 . . . . 0.0 111.029 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.813 HD12 HG21 ' A' ' 78' ' ' VAL . 22.5 mm -73.86 -43.06 53.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.8 OUTLIER -56.32 -32.54 64.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.95 -27.81 26.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.368 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.752 HD22 ' CE1' ' A' ' 99' ' ' PHE . 2.9 mp -83.79 -17.39 41.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.78 HG22 HD11 ' A' ' 76' ' ' ILE . 77.2 p -109.94 -40.91 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.427 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.587 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 87.47 -18.03 40.31 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.577 1.173 . . . . 0.0 111.056 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.622 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 4.0 m-85 -88.68 126.13 35.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 0.739 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.97 161.75 21.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.051 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.425 ' HA ' ' HB3' ' A' ' 111' ' ' ARG . . . -65.73 -21.77 66.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.404 1.065 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -73.42 -46.43 48.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.622 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 12.7 pt-20 -78.06 -33.24 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.475 ' O ' ' CG ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -50.28 -36.51 31.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -24.87 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.365 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 110' ' ' GLU . 2.8 mmmt -53.56 -44.53 69.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -65.35 -12.71 54.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 111.078 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.425 ' C ' HG23 ' A' ' 116' ' ' THR . 1.1 tmm? -99.02 -30.14 12.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.425 HG23 ' C ' ' A' ' 115' ' ' MET . 29.5 p -152.28 95.26 2.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.79 -47.77 30.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.369 179.939 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.473 ' CG ' ' HB2' ' A' ' 79' ' ' ASN . 1.9 ttm . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.503 0.192 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -117.54 158.7 24.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -139.08 119.83 14.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.357 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.49 ' CE2' HG21 ' A' ' 100' ' ' ILE . 38.9 m-85 -124.39 143.02 41.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.563 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.5 Cg_endo -74.85 170.66 19.88 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.807 . . . . 0.0 111.021 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.568 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.5 t -124.25 128.74 74.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.417 1.073 . . . . 0.0 109.288 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.595 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -71.75 147.07 47.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -66.17 103.81 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.393 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.36 -37.27 3.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 1.1 m-85 -49.29 159.76 0.6 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 111.051 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 126.74 10.19 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 34' ' ' THR . 5.5 t -136.5 33.81 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.41 152.5 47.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.576 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 18.3 m-85 -51.75 -54.76 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' NE ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -59.28 -51.89 68.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -52.76 33.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.671 HG22 HD11 ' A' ' 43' ' ' ILE . 63.5 mt -65.76 -42.21 91.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.855 ' HG2' HG21 ' A' ' 50' ' ' VAL . 7.5 mttp -51.96 -50.37 61.37 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.439 ' NE ' ' OD1' ' A' ' 37' ' ' ASP . 1.2 mpt_? -66.11 -34.02 77.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.372 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -67.09 -41.42 86.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.227 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.879 ' HA ' HD23 ' A' ' 46' ' ' LEU . 17.8 mt -59.73 -53.73 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.394 1.059 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.1 t -67.21 -39.24 86.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.045 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -26.98 61.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.246 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.016 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -86.48 -26.27 24.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.82 30.37 2.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 1.016 ' CE2' HD11 ' A' ' 46' ' ' LEU . 13.1 m-30 -119.16 174.91 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 111.075 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.16 162.42 15.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.372 1.045 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.855 HG21 ' HG2' ' A' ' 40' ' ' LYS . 2.5 p -141.29 128.14 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -109.35 144.19 37.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.39 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.1 p -103.5 103.7 13.69 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.465 1.103 . . . . 0.0 109.976 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.22 93.88 5.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.05 -102.97 0.91 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.416 ' C ' HD23 ' A' ' 56' ' ' LEU . 5.0 m-20 -118.62 -3.84 10.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.8 . . . . 0.0 109.396 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.547 HD13 ' HE3' ' A' ' 70' ' ' LYS . 3.7 mt -95.0 159.91 14.81 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.642 HD11 ' HG3' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -110.71 141.4 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 5.9 mm -124.0 142.18 41.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.22 146.12 36.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.117 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.69 102.02 9.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.074 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.928 HD11 HD13 ' A' ' 64' ' ' ILE . 12.0 pt -124.32 151.81 66.95 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 133.9 17.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.568 1.825 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.3 -25.97 26.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.571 1.169 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.928 HD13 HD11 ' A' ' 61' ' ' ILE . 2.7 mp -107.87 150.0 10.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.513 0.773 . . . . 0.0 109.269 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.7 t -81.94 -62.72 1.55 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.4 1.062 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 -155.48 146.89 22.84 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.491 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -139.64 150.31 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.713 ' C ' HD12 ' A' ' 69' ' ' ILE . 4.5 mt-10 -111.67 135.97 51.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.86 HG13 HG13 ' A' ' 78' ' ' VAL . 2.6 mp -129.89 144.44 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.547 ' HE3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -141.37 92.28 8.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.366 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -74.98 131.98 14.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.21 154.77 47.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -52.7 -40.62 63.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.4 1.062 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.99 -74.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.365 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.85 -168.4 2.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.824 HD11 HG22 ' A' ' 104' ' ' THR . 9.5 pt -130.68 163.27 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.618 1.199 . . . . 0.0 109.258 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.82 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -145.91 153.5 40.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.86 HG13 HG13 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -132.82 147.83 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.473 ' HB2' ' CG ' ' A' ' 23' ' ' MET . 27.7 t30 -135.84 124.97 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.2 p -112.2 -177.92 3.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -125.97 -117.28 2.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.587 1.179 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.89 123.8 48.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.457 ' CD2' HG21 ' A' ' 92' ' ' VAL . 2.6 m-30 -84.25 154.24 23.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -67.96 106.75 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.72 -32.82 53.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.562 1.164 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -37.84 88.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.96 131.82 35.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 91' ' ' ALA . 6.2 m-20 -53.39 106.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.518 ' HA ' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -48.89 -26.22 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.404 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.25 -38.26 51.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 109.354 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -68.76 -52.57 29.08 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.445 1.09 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.518 HG22 ' HA ' ' A' ' 89' ' ' LYS . 34.4 m -53.52 -47.94 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.447 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 2.2 t -65.02 -33.03 60.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.472 ' HA ' ' ND2' ' A' ' 97' ' ' ASN . 0.2 OUTLIER -67.86 -37.62 82.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.267 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 m -86.59 -30.14 22.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.17 . . . . 0.0 110.358 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.413 ' O ' ' HB3' ' A' ' 99' ' ' PHE . 17.2 t80 -75.7 -55.31 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.541 ' C ' ' OD1' ' A' ' 97' ' ' ASN . 1.3 p30 -56.37 -31.84 64.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.2 OUTLIER -65.52 -40.39 92.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.77 ' CE1' HD22 ' A' ' 103' ' ' LEU . 1.9 t80 -66.98 -32.54 73.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 104' ' ' THR . 29.2 mm -81.34 -36.98 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.3 tt0 -54.79 -33.26 61.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -86.31 -24.93 25.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.77 HD22 ' CE1' ' A' ' 99' ' ' PHE . 1.6 mp -81.95 -20.03 39.46 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.65 1.218 . . . . 0.0 109.28 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.824 HG22 HD11 ' A' ' 76' ' ' ILE . 70.0 p -112.34 -49.21 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.338 1.024 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.592 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 94.28 -20.21 49.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.606 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 6.7 m-85 -84.44 125.03 31.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.34 159.4 21.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.405 1.065 . . . . 0.0 110.041 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 111' ' ' ARG . . . -63.17 -21.12 66.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -45.94 54.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.606 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 12.9 pt-20 -80.81 -32.3 35.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 110.245 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.531 ' C ' ' CD ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -50.61 -35.82 32.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.509 ' N ' ' HG3' ' A' ' 111' ' ' ARG . 60.3 tttt -78.09 -38.15 44.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -48.62 -47.63 39.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.394 1.059 . . . . 0.0 109.313 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.473 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 11.4 ptm -69.34 -22.23 63.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.512 1.133 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -82.88 -45.18 14.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.3 p -91.81 131.41 37.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -57.45 132.58 53.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.54 0.21 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -101.36 134.8 43.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -105.05 121.37 43.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.715 ' CD2' HG21 ' A' ' 100' ' ' ILE . 34.2 m-85 -115.56 149.79 43.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.446 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.07 172.06 17.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.62 1.853 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.84 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.4 t -121.95 149.32 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -98.42 146.43 25.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.226 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -69.67 118.16 12.19 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.418 1.074 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.88 -41.58 2.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 3.6 m-85 -48.1 161.5 0.37 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 111.071 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.0 Cg_endo -74.97 128.3 11.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.0 p -123.95 24.39 8.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.43 144.76 50.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.58 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 9.8 m-85 -46.9 -55.94 7.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.9 -52.25 66.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.42 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -51.46 -52.37 47.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 110.011 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.873 HG23 HD11 ' A' ' 103' ' ' LEU . 6.8 mt -64.82 -37.8 81.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.716 ' HG2' HG11 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -52.93 -37.5 60.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.3 mpt_? -76.22 -36.45 58.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.355 1.034 . . . . 0.0 110.259 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -33.35 75.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 109.391 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.839 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.4 mt -70.2 -53.61 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.9 t -69.29 -26.67 64.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.8 mm-40 -67.38 -30.12 69.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 110.36 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.07 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -81.68 -24.5 36.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.68 32.19 2.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.337 1.023 . . . . 0.0 111.034 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 1.07 ' CE2' HD11 ' A' ' 46' ' ' LEU . 11.8 m-30 -119.14 179.0 4.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 110.984 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.4 OUTLIER -122.01 162.47 21.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.716 HG11 ' HG2' ' A' ' 40' ' ' LYS . 2.6 p -139.37 138.85 39.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -114.32 144.79 42.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.0 115.82 30.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' CD ' ' NH1' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -121.61 91.79 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.86 -105.33 1.52 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 111.105 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -119.64 -1.49 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 56' ' ' LEU . 6.2 mt -95.22 155.85 16.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.614 HD11 ' HG3' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -105.85 133.56 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.361 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 50' ' ' VAL . 21.1 mm -117.58 128.05 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.45 145.49 26.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -111.87 95.7 5.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.87 HD11 HD13 ' A' ' 64' ' ' ILE . 19.3 pt -119.38 157.04 52.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 133.5 16.59 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.594 1.839 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.07 -25.65 27.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.87 HD13 HD11 ' A' ' 61' ' ' ILE . 3.4 mp -108.47 149.94 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.498 0.763 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.5 t -90.79 -55.55 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.006 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.437 ' NH1' ' CD ' ' A' ' 53' ' ' GLU . 28.0 mtt180 -156.68 141.76 17.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.832 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -142.78 153.77 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.393 1.058 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.583 ' C ' HD12 ' A' ' 69' ' ' ILE . 8.9 mt-10 -111.47 135.66 51.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.806 HG13 HG13 ' A' ' 78' ' ' VAL . 2.3 mp -125.14 145.01 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -141.24 94.99 7.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.56 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.0 Cg_endo -75.11 127.99 11.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.97 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.42 156.6 43.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -56.73 -43.04 80.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -71.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.45 -173.46 4.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.84 HG23 ' CG2' ' A' ' 28' ' ' VAL . 4.7 pt -126.07 160.38 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.831 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -141.86 154.44 45.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.806 HG13 HG13 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -132.76 147.42 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -133.69 120.61 20.84 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.442 ' HA ' HG22 ' A' ' 67' ' ' ILE . 20.9 p -91.97 124.55 36.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.376 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.2 -65.59 1.03 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -135.02 149.43 50.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.477 ' CE2' HG23 ' A' ' 92' ' ' VAL . 1.7 m-85 -123.57 161.12 25.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -37.43 145.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.36 -20.86 26.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -99.23 -64.09 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.487 ' HB1' ' CG1' ' A' ' 92' ' ' VAL . . . -49.56 141.9 8.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 124.434 1.084 . . . . 0.0 109.381 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 91' ' ' ALA . 29.9 m-20 -70.55 114.63 8.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.945 ' O ' HG23 ' A' ' 93' ' ' VAL . 9.6 pttp -48.14 -31.03 5.12 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 tp -77.05 -32.48 56.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -75.74 -49.24 18.78 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' ' 89' ' ' LYS . 10.8 m -60.22 -30.02 45.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.3 t -51.09 -36.87 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -28.53 69.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.4 m -86.57 -35.17 19.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.689 ' HB2' HD11 ' A' ' 64' ' ' ILE . 59.6 t80 -60.27 -45.76 92.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.41 -35.92 76.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -55.44 -39.99 70.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.441 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 6.9 t80 -64.14 -53.09 55.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.715 HG21 ' CD2' ' A' ' 26' ' ' TYR . 29.4 mm -61.71 -32.7 54.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.5 OUTLIER -55.95 -46.16 78.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -83.67 -22.42 32.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.873 HD11 HG23 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -72.2 -44.82 62.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.228 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.676 ' CG2' HD11 ' A' ' 76' ' ' ILE . 46.3 p -96.99 -39.89 9.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.447 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.587 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 93.68 -2.03 69.5 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.448 1.093 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.563 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 4.5 m-85 -95.14 129.48 42.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.465 0.744 . . . . 0.0 111.078 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.37 174.8 7.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.56 -23.64 61.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -68.09 -49.29 62.17 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.563 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 15.2 pt-20 -79.17 -31.78 44.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.448 1.093 . . . . 0.0 110.37 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.455 ' O ' ' CG ' ' A' ' 114' ' ' MET . 49.0 ttp85 -50.61 -31.6 16.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -67.69 -28.03 67.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -53.09 -43.99 67.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.455 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -64.77 -13.98 57.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 0.0 110.954 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.6 -41.01 10.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 113' ' ' LYS . 12.9 t -96.55 152.67 18.41 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.512 1.132 . . . . 0.0 110.421 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -74.34 150.04 40.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.2 ttm . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.523 0.201 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.9 128.16 53.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.22 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -91.45 125.47 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.424 ' CG ' HG21 ' A' ' 100' ' ' ILE . 74.8 m-85 -112.25 150.4 42.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.45 ' O ' HG22 ' A' ' 104' ' ' THR . 18.4 Cg_endo -75.06 168.53 24.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.57 1.826 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 75' ' ' LYS . 7.3 p -134.63 139.22 48.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -81.73 146.32 30.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.27 127.4 32.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.82 -39.6 2.7 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.543 1.152 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.709 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 2.6 m-85 -47.91 165.5 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.597 0.822 . . . . 0.0 111.019 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 132.25 15.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.425 1.75 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.5 p -135.01 31.0 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.075 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.22 148.71 43.33 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.546 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 12.3 m-85 -52.03 -53.08 46.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.414 ' O ' ' CD ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -63.27 -50.93 68.19 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.383 1.052 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 m -49.42 -52.31 29.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.627 HG22 HD11 ' A' ' 43' ' ' ILE . 66.9 mt -69.8 -36.1 68.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.37 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.527 ' CG ' HG11 ' A' ' 50' ' ' VAL . 9.2 ttmt -53.23 -37.17 61.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.414 ' CD ' ' O ' ' A' ' 37' ' ' ASP . 1.8 mpt_? -77.08 -35.8 56.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -38.97 91.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.939 ' HA ' HD23 ' A' ' 46' ' ' LEU . 14.4 mt -62.18 -51.16 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.53 -35.15 72.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' ARG . 1.4 mt-10 -65.88 -21.13 66.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.064 HD21 ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -88.13 -25.05 23.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.337 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.51 26.01 4.11 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 1.064 ' CD2' HD21 ' A' ' 46' ' ' LEU . 16.0 m-30 -117.91 179.73 4.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 0.719 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.06 162.23 18.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.527 HG11 ' CG ' ' A' ' 40' ' ' LYS . 1.7 p -141.47 126.89 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -113.3 144.34 42.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -102.71 110.11 21.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.96 90.21 3.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.48 -109.77 2.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.047 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.532 ' C ' HD23 ' A' ' 56' ' ' LEU . 63.1 m-20 -115.17 -2.71 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.538 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -97.54 160.61 14.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.546 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.3 tt -109.98 137.5 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.44 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 20.6 mm -116.69 131.72 68.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.598 1.186 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.15 144.32 29.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.82 102.21 9.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.057 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.049 HD11 HD12 ' A' ' 64' ' ' ILE . 8.2 pt -126.24 153.14 74.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.182 . . . . 0.0 109.176 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 135.19 18.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.66 -24.63 31.42 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.478 1.111 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 1.049 HD12 HD11 ' A' ' 61' ' ' ILE . 9.9 mt -106.91 160.94 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.503 0.767 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.408 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -95.63 -62.87 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' HD3' HG21 ' A' ' 58' ' ' ILE . 15.2 mtt180 -155.26 140.31 17.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 110.29 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.486 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -142.05 147.42 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.525 ' C ' HD13 ' A' ' 69' ' ' ILE . 8.4 mt-10 -104.73 136.01 45.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.525 HD13 ' C ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -117.1 142.22 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.478 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -139.84 89.15 11.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 134.25 17.48 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.71 150.22 41.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.244 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 13.3 mptt -57.73 -37.28 73.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -68.65 -64.54 0.85 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.646 1.216 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.696 ' HE2' HD12 ' A' ' 77' ' ' LEU . 1.5 pptp? -154.12 -166.08 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.228 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.832 ' C ' HD13 ' A' ' 77' ' ' LEU . 2.7 pt -138.91 158.56 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.832 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -148.37 152.11 36.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.36 1.037 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 100' ' ' ILE . 4.1 t -130.9 149.52 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -124.06 120.64 33.0 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.0 p -109.69 146.07 35.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.444 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.84 -87.93 1.63 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -144.29 106.45 4.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 0.795 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.566 ' OH ' HD11 ' A' ' 64' ' ' ILE . 3.2 m-30 -58.25 152.53 17.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 103.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.77 -35.0 29.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.96 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -63.07 -51.02 68.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.83 141.27 46.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.703 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 82.7 m-20 -60.28 103.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 1.001 ' O ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -61.43 -28.49 69.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.385 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' A' ' 93' ' ' VAL . 5.2 tp -76.99 -30.69 56.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.703 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -76.99 -52.15 9.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 89' ' ' LYS . 31.4 m -54.63 -30.08 21.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 89' ' ' LYS . 4.4 t -50.97 -34.29 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -73.72 -28.57 61.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -85.11 -33.09 22.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -78.69 -32.91 47.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -71.49 -46.35 60.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -53.16 -36.26 60.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.65 ' CE1' HD22 ' A' ' 103' ' ' LEU . 17.5 t80 -65.43 -48.05 74.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 104' ' ' THR . 29.5 mm -69.67 -50.27 51.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 109.25 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 106' ' ' TYR . 21.8 tt0 -48.6 -31.23 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.294 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -85.32 -27.95 25.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.65 HD22 ' CE1' ' A' ' 99' ' ' PHE . 4.0 mp -86.13 -11.41 52.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 100' ' ' ILE . 17.1 p -103.63 -30.09 10.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.496 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.709 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 78.42 5.93 87.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.592 1.182 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.46 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 6.7 m-85 -94.82 126.12 39.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 109' ' ' LYS . 4.8 t -103.68 168.64 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.46 -27.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 107' ' ' SER . 0.4 OUTLIER -53.48 -45.64 69.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 110' ' ' GLU . 1.1 mm-40 -79.27 -47.59 15.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.73 -25.13 1.66 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.585 1.178 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 115' ' ' MET . 0.3 OUTLIER -84.72 -33.7 23.06 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -49.96 -25.67 3.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -22.91 21.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -90.03 -37.31 14.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.407 HG23 ' HG2' ' A' ' 115' ' ' MET . 16.0 p -141.45 112.91 7.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -46.16 45.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.244 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.1 tmm? . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.512 0.196 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.62 151.95 27.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.642 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 25.8 mt-10 -121.23 165.29 15.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.642 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 47.5 m-85 -162.28 143.9 8.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.0 162.29 37.36 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.384 1.728 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.56 HG21 ' CG2' ' A' ' 34' ' ' THR . 13.4 p -117.22 139.37 44.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -85.16 144.89 27.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.226 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -67.81 98.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 129.03 -43.45 1.31 Allowed Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.689 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 3.0 m-85 -44.17 160.33 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.423 0.719 . . . . 0.0 111.035 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.414 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.4 Cg_endo -74.96 139.03 23.91 Favored 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.406 1.74 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.56 ' CG2' HG21 ' A' ' 28' ' ' VAL . 25.8 p -136.57 31.87 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.6 142.97 51.37 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.527 1.142 . . . . 0.0 109.211 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.583 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.9 m-85 -47.49 -54.74 10.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.425 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -59.19 -48.94 79.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.22 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 35.8 m -53.13 -53.2 54.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.959 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.771 HG22 HD11 ' A' ' 43' ' ' ILE . 16.5 mt -65.75 -41.44 90.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.632 ' HA ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -50.29 -46.47 55.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' GLU . 9.7 mpt_? -71.58 -36.49 70.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -64.15 -34.22 77.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.771 HD11 HG22 ' A' ' 39' ' ' ILE . 11.9 mt -68.54 -53.51 27.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.6 t -68.97 -29.2 67.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -63.24 -21.64 66.36 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.565 1.165 . . . . 0.0 110.232 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.085 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -93.61 -24.49 17.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.21 34.29 1.82 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 1.085 ' CE2' HD11 ' A' ' 46' ' ' LEU . 10.6 m-30 -119.75 170.47 9.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.554 0.796 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.1 162.36 14.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 58' ' ' ILE . 2.4 p -142.31 133.87 25.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.228 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -111.3 144.55 40.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.6 m -112.23 98.26 7.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.494 ' CD ' HD11 ' A' ' 58' ' ' ILE . 5.5 pt-20 -100.34 90.26 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.04 -104.0 2.18 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.507 ' C ' HD23 ' A' ' 56' ' ' LEU . 83.1 m-20 -121.95 1.19 9.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.513 ' N ' HD23 ' A' ' 56' ' ' LEU . 4.3 mt -97.53 154.47 17.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.583 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -109.06 139.04 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 50' ' ' VAL . 7.1 mm -122.46 138.2 53.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -102.92 139.88 37.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.22 96.08 6.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.783 ' CD1' HD13 ' A' ' 64' ' ' ILE . 15.2 pt -120.81 152.96 56.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.407 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 135.44 19.32 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.464 1.771 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.83 -26.08 25.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.783 HD13 ' CD1' ' A' ' 61' ' ' ILE . 3.7 mp -108.11 148.28 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.776 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.8 t -82.55 -62.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.071 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -155.0 140.5 17.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.611 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.08 148.41 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 6.8 mt-10 -104.75 137.43 42.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.234 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.559 HD13 HG13 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -120.1 140.4 44.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -139.91 91.45 10.33 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.571 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -75.01 131.45 14.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.552 1.817 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.64 150.89 49.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -57.19 -42.33 81.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -67.5 -62.64 1.32 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.113 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.857 ' HE3' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -153.2 -166.17 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.882 HD11 HG22 ' A' ' 104' ' ' THR . 0.8 OUTLIER -140.16 155.78 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.857 HD12 ' HE3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -141.03 155.38 46.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.559 HG13 HD13 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -132.96 145.97 33.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -123.31 127.77 49.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.0 p -113.18 143.57 44.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.614 1.196 . . . . 0.0 110.445 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.35 -90.64 1.02 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 110.945 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -143.71 113.53 7.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 0.741 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.479 ' OH ' ' CD1' ' A' ' 96' ' ' TYR . 2.8 m-85 -69.21 159.86 32.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.492 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -66.95 113.9 5.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -47.0 88.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.956 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -54.19 -41.02 68.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 84' ' ' ASP . . . -81.94 129.34 34.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.454 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -51.75 99.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.876 ' O ' HG23 ' A' ' 93' ' ' VAL . 2.4 mttt -50.69 -30.1 12.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.68 -32.64 60.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -68.68 -52.06 35.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.103 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 89' ' ' LYS . 15.2 m -62.86 -31.91 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.364 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.3 t -53.4 -36.79 27.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -66.79 -29.37 69.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.438 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 3.2 m -86.22 -32.57 21.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.562 ' HB2' HD11 ' A' ' 64' ' ' ILE . 50.3 t80 -69.01 -43.48 74.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.626 1.204 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -39.32 77.21 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.442 1.088 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -38.38 59.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 10.3 t80 -76.37 -53.43 8.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 104' ' ' THR . 40.1 mm -56.03 -35.57 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.471 ' OE1' ' CB ' ' A' ' 107' ' ' SER . 2.2 mm-40 -54.49 -47.26 73.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.23 -15.85 45.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.079 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.64 HD11 HG23 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -82.56 -26.89 31.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.882 HG22 HD11 ' A' ' 76' ' ' ILE . 64.8 p -111.14 -47.67 3.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.461 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.689 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 111.51 -27.8 10.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.135 . . . . 0.0 111.078 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 30.2 m-85 -86.28 137.37 32.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 111.066 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.591 ' O ' ' HG3' ' A' ' 110' ' ' GLU . 39.8 p -109.64 -173.42 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.72 -20.32 61.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -66.99 -50.4 62.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' ' 107' ' ' SER . 2.4 pp20? -66.95 -29.26 69.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.353 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.517 ' N ' ' CD ' ' A' ' 110' ' ' GLU . 1.4 tmm_? -49.77 -37.12 28.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.233 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -46.32 73.68 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -43.08 -53.35 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.478 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 13.9 ptp -70.82 -30.05 66.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.058 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.415 ' N ' ' HG3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -69.67 -55.58 9.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 110.962 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.8 p -106.01 114.64 28.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.376 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -44.71 165.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.417 0.151 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.58 131.96 53.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.351 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -117.24 120.92 39.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 0.0 110.365 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 1.029 ' CD2' HG21 ' A' ' 100' ' ' ILE . 56.8 m-85 -114.67 150.51 44.09 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.185 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 174.37 12.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.7 ' CG2' HG23 ' A' ' 76' ' ' ILE . 3.4 t -126.01 134.3 66.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.192 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -81.11 145.79 30.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -69.85 104.48 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.265 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 121.62 -45.59 1.2 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.58 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 3.5 m-85 -42.55 159.34 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.34 25.41 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.781 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.1 p -140.61 32.06 1.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.368 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.57 146.99 45.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.234 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.572 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.0 m-85 -51.15 -52.18 46.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -50.41 73.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 m -50.04 -52.8 31.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.95 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.901 HG22 HD11 ' A' ' 43' ' ' ILE . 98.3 mt -64.81 -40.89 90.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.629 ' HG2' HG11 ' A' ' 50' ' ' VAL . 1.6 mtpp -51.66 -40.47 60.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.4 mpt_? -75.02 -39.66 61.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.408 1.067 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -33.43 75.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.91 ' HA ' HD23 ' A' ' 46' ' ' LEU . 20.6 mt -69.04 -53.69 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.4 t -69.54 -25.39 64.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 109.947 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 2.0 mm-40 -73.74 -23.91 59.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.91 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -89.88 -22.8 21.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.33 24.91 4.58 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.881 ' CD2' HD21 ' A' ' 46' ' ' LEU . 10.7 m-30 -112.89 177.65 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.386 0.698 . . . . 0.0 111.004 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.28 161.76 21.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.629 HG11 ' HG2' ' A' ' 40' ' ' LYS . 2.4 p -140.21 134.04 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -116.09 144.94 43.47 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.552 1.158 . . . . 0.0 109.365 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.8 m -105.54 98.82 8.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.039 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -102.51 90.5 3.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 110.194 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.52 -109.93 2.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.578 1.173 . . . . 0.0 111.01 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.544 ' C ' HD23 ' A' ' 56' ' ' LEU . 2.4 m-20 -115.31 -3.68 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.791 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.58 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -96.73 158.0 15.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.443 1.09 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.572 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -107.62 139.06 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 27.5 mm -118.18 131.88 69.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' HB3' HG12 ' A' ' 67' ' ' ILE . . . -99.64 144.35 28.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.34 101.48 8.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.828 HD11 HD13 ' A' ' 64' ' ' ILE . 7.1 pt -122.54 154.64 63.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 139.46 24.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.98 -25.65 20.73 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.828 HD13 HD11 ' A' ' 61' ' ' ILE . 2.4 mp -107.69 145.32 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 0.795 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 m -77.28 -62.47 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.892 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.05 142.13 19.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.429 1.081 . . . . 0.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.673 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.4 153.35 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 8.0 mt-10 -109.91 137.4 47.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.572 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -121.62 135.82 60.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 1.1 mppt? -134.67 90.12 24.14 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.249 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.515 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -74.97 140.99 26.18 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.26 148.18 37.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.6 mttt -52.37 -36.83 54.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.509 ' CZ ' ' HA ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -71.19 -68.83 0.41 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.554 ' NZ ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -148.92 -166.75 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.914 HD11 HG22 ' A' ' 104' ' ' THR . 9.6 pt -135.02 164.25 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.86 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -148.87 153.62 38.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.27 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.442 HG13 HD13 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -132.86 147.81 31.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -130.99 116.32 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.466 ' CG2' ' CZ ' ' A' ' 96' ' ' TYR . 61.3 p -96.72 152.42 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.77 -113.64 3.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.24 137.35 43.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.561 ' CD2' HG21 ' A' ' 92' ' ' VAL . 4.4 m-30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.536 ' HA ' HG22 ' A' ' 92' ' ' VAL . 25.7 mttt -51.18 -27.85 9.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -31.04 58.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -73.79 -52.26 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.561 HG21 ' CD2' ' A' ' 83' ' ' TYR . 26.2 m -58.18 -24.6 24.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.333 1.02 . . . . 0.0 109.221 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.97 -37.28 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.511 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -64.47 -30.2 71.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.4 1.062 . . . . 0.0 110.346 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.451 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 16.3 m -87.45 -30.43 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.426 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.466 ' CZ ' ' CG2' ' A' ' 80' ' ' THR . 57.0 t80 -74.78 -38.55 62.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -72.76 -47.04 50.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 0.0 109.385 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -53.66 -37.58 63.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -60.84 -50.83 71.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.585 1.178 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 1.029 HG21 ' CD2' ' A' ' 26' ' ' TYR . 19.3 mm -72.35 -35.44 52.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -40.45 63.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 110.308 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -84.82 -23.03 29.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.611 HD21 HG23 ' A' ' 39' ' ' ILE . 1.5 tp -81.69 -12.86 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.914 HG22 HD11 ' A' ' 76' ' ' ILE . 81.1 p -117.41 -41.66 2.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 110.418 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.58 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 104.54 -38.62 3.18 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.437 1.086 . . . . 0.0 111.045 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 111.026 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.456 ' HG3' ' CB ' ' A' ' 79' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.574 0.226 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -97.56 149.81 21.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 110.279 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -120.5 123.51 43.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.482 ' CD2' HG23 ' A' ' 78' ' ' VAL . 24.6 m-85 -119.14 143.9 35.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.27 29.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.45 129.64 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -73.53 146.66 44.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 109.245 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 2.2 pttt -70.29 117.55 11.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.59 -41.38 2.23 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.429 1.081 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 3.4 m-85 -46.14 165.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.795 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 130.34 13.17 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.765 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.6 p -133.92 28.81 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.404 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.25 142.72 48.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.569 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 7.3 m-85 -49.34 -55.26 13.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -47.77 84.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.401 1.063 . . . . 0.0 109.23 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -52.77 31.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.867 HG22 HD11 ' A' ' 43' ' ' ILE . 9.2 mt -63.61 -41.71 93.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HG2' HG21 ' A' ' 50' ' ' VAL . 9.2 mttt -50.31 -38.74 43.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLU . 10.4 mpt_? -73.54 -41.45 62.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -38.73 92.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.867 HD11 HG22 ' A' ' 39' ' ' ILE . 20.4 mt -66.13 -55.5 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.5 t -66.06 -24.24 66.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -69.14 -39.49 78.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.798 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -77.36 -25.19 50.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.67 34.08 1.78 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.759 ' CD2' HG22 ' A' ' 61' ' ' ILE . 6.7 m-30 -115.12 160.7 19.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.85 157.38 17.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 58' ' ' ILE . 2.9 p -140.22 134.74 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -115.58 146.71 41.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.7 p -99.97 110.83 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.466 ' HB2' ' CG1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -110.82 93.62 4.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.26 -103.34 0.92 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.493 ' C ' HD23 ' A' ' 56' ' ' LEU . 73.3 m-20 -118.86 -3.3 10.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.365 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.552 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.2 mt -95.68 159.9 14.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.386 1.054 . . . . 0.0 109.22 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.497 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -106.3 137.64 35.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.214 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 50' ' ' VAL . 16.2 mm -116.63 129.54 72.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.378 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.33 137.65 43.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 t -109.18 105.75 15.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.759 HG22 ' CD2' ' A' ' 48' ' ' PHE . 6.9 pt -122.61 153.89 63.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.23 16.33 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.588 1.836 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.511 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 100.1 -25.27 28.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.837 HG21 HD12 ' A' ' 67' ' ' ILE . 2.7 mp -107.35 149.69 10.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.495 0.762 . . . . 0.0 109.237 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.3 t -82.74 -62.28 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 110.041 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -154.99 140.55 17.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.837 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -141.22 149.64 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.648 ' C ' HD12 ' A' ' 69' ' ' ILE . 7.1 mt-10 -114.16 135.89 53.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.76 HG13 HG13 ' A' ' 78' ' ' VAL . 2.5 mp -121.12 144.46 30.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.448 1.092 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.457 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.59 90.32 14.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.367 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.1 Cg_endo -75.03 125.81 9.54 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.2 152.18 43.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -28.75 59.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -62.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.86 ' HE3' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -152.14 -166.0 2.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.909 ' C ' HD13 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -140.96 164.51 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.909 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -147.6 153.78 39.83 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.76 HG13 HG13 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -132.96 146.51 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.456 ' CB ' ' HG3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -131.99 125.84 32.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 80.9 p -107.15 142.73 36.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.35 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.53 -83.33 0.8 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -146.18 109.7 4.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--N 1.323 -0.583 0 O-C-N 124.536 1.147 . . . . 0.0 110.952 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.3 m-20 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.624 ' HA ' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -50.74 -27.07 6.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.64 -33.19 60.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 109.373 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -74.06 -51.6 15.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.186 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.624 HG22 ' HA ' ' A' ' 89' ' ' LYS . 29.5 m -60.81 -33.5 55.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 89' ' ' LYS . 3.3 t -69.29 -38.11 76.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.632 1.207 . . . . 0.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -63.34 -30.81 71.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.3 m -86.06 -30.98 22.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -75.33 -39.34 59.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.16 -46.35 64.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.33 -34.19 70.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.459 ' CE2' HD22 ' A' ' 103' ' ' LEU . 59.6 t80 -68.09 -42.94 79.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.397 1.06 . . . . 0.0 111.055 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 103' ' ' LEU . 21.0 mm -75.26 -50.39 24.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.47 ' O ' ' CA ' ' A' ' 105' ' ' GLY . 5.9 tt0 -46.97 -32.19 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 -29.16 21.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.459 HD22 ' CE2' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -75.0 -35.9 62.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.432 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 2.8 p -100.99 -40.25 7.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.382 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.528 ' HA3' ' CZ ' ' A' ' 32' ' ' PHE . . . 103.6 -34.0 6.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.097 . . . . 0.0 111.014 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 110.996 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.5 ttm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.489 0.185 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.11 127.43 53.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -90.17 131.82 35.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.625 1.203 . . . . 0.0 110.344 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.506 ' CD2' HG21 ' A' ' 100' ' ' ILE . 29.7 m-85 -114.24 147.57 38.2 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 26' ' ' TYR . 18.3 Cg_endo -75.01 167.06 27.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.84 ' CG2' HG23 ' A' ' 76' ' ' ILE . 10.5 t -123.26 135.4 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -75.82 146.82 39.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 5.3 mptt -71.22 105.8 3.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.7 -44.87 1.26 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.364 1.04 . . . . 0.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 104' ' ' THR . 3.6 m-85 -43.18 159.93 0.21 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 142.78 28.39 Favored 'Trans proline' 0 C--N 1.362 1.26 0 O-C-N 124.466 1.772 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 p -136.57 29.3 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -117.33 148.24 41.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.607 1.192 . . . . 0.0 109.224 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.561 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 5.9 m-85 -52.89 -51.0 62.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -52.91 62.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.6 m -49.77 -52.65 30.28 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.436 1.085 . . . . 0.0 110.123 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.625 HG23 HD11 ' A' ' 103' ' ' LEU . 40.3 mt -64.56 -40.28 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.768 ' HG2' HG21 ' A' ' 50' ' ' VAL . 14.9 mtpt -51.98 -38.06 55.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 45' ' ' GLU . 2.6 mpt_? -76.58 -38.4 54.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.228 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -30.92 71.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.782 ' HA ' HD23 ' A' ' 46' ' ' LEU . 38.2 mt -70.72 -54.93 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -67.96 -31.11 70.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.956 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -61.44 -25.19 67.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.048 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.34 -23.97 22.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.268 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.59 32.05 2.21 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.412 1.07 . . . . 0.0 111.026 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 1.048 ' CE2' HD11 ' A' ' 46' ' ' LEU . 11.6 m-30 -118.74 176.6 5.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.74 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.58 162.08 18.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.768 HG21 ' HG2' ' A' ' 40' ' ' LYS . 1.7 p -138.69 132.1 39.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -112.95 144.31 42.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -107.81 99.26 8.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -102.61 92.1 4.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.28 -110.62 3.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.476 ' C ' HD23 ' A' ' 56' ' ' LEU . 20.8 m-20 -115.94 -4.3 12.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.537 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -95.14 159.71 14.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.642 HD11 ' HG3' ' A' ' 40' ' ' LYS . 1.1 tt -107.81 138.46 34.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 26.7 mm -119.09 137.52 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.84 144.74 31.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.48 100.37 8.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.874 HD11 HD13 ' A' ' 64' ' ' ILE . 13.7 pt -122.84 152.66 62.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 137.01 21.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.556 1.819 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.54 -25.37 28.52 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.095 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.874 HD13 HD11 ' A' ' 61' ' ' ILE . 1.2 mp -107.43 161.78 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.368 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.47 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 26.3 t -94.23 -62.4 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.2 136.77 14.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -135.32 151.48 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.8 mt-10 -109.04 137.16 47.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.57 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -119.76 135.06 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 1.5 mppt? -131.74 89.28 39.84 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.466 ' HB3' ' CD1' ' A' ' 39' ' ' ILE . 18.4 Cg_endo -75.05 134.17 17.4 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.22 150.91 43.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -57.52 -42.64 83.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -66.38 0.56 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.45 178.85 9.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.334 1.022 . . . . 0.0 109.4 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.917 ' C ' HD13 ' A' ' 77' ' ' LEU . 4.8 pt -126.37 160.09 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.917 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -145.64 154.03 41.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 1.144 . . . . 0.0 109.214 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.49 HG13 HD13 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -133.22 148.18 31.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.455 1.097 . . . . 0.0 109.195 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -136.89 127.37 26.74 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.409 ' HA ' HG22 ' A' ' 67' ' ' ILE . 74.5 p -96.33 161.49 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.25 -70.92 0.68 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.451 1.094 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -137.2 136.04 37.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.805 . . . . 0.0 109.26 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 111.087 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.454 ' O ' HG22 ' A' ' 92' ' ' VAL . 8.3 m-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -51.6 -29.4 17.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.571 1.169 . . . . 0.0 109.358 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -77.2 -30.05 54.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -72.98 -52.73 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 89' ' ' LYS . 6.2 m -59.7 -37.59 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.24 -37.36 78.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.47 1.107 . . . . 0.0 109.265 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 90' ' ' LEU . 2.3 mmt180 -65.52 -31.17 72.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -86.23 -32.7 21.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -72.02 -35.39 69.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.4 1.063 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -37.97 46.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -55.38 -37.69 67.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.7 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 6.7 t80 -63.53 -53.05 58.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.506 HG21 ' CD2' ' A' ' 26' ' ' TYR . 26.1 mm -60.23 -32.18 50.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.511 ' O ' ' CA ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -55.54 -43.33 75.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.208 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -22.43 22.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.222 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.7 ' CD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -71.72 -41.63 68.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.598 ' CG2' HD11 ' A' ' 76' ' ' ILE . 66.7 p -105.7 -35.99 7.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.397 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 101' ' ' GLU . . . 109.87 -34.8 5.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.59 1.181 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 110.973 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 78' ' ' VAL . 21.0 ttm . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.536 0.208 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.561 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -110.0 137.99 47.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 1.9 mt-10 -100.73 132.71 45.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.683 ' CD2' HG21 ' A' ' 100' ' ' ILE . 57.8 m-85 -125.35 146.81 55.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.527 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.5 Cg_endo -74.9 -170.1 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.554 1.818 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.507 HG21 ' CG2' ' A' ' 34' ' ' THR . 14.7 p -145.0 118.9 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.217 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -64.42 145.72 55.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -69.74 105.98 2.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.34 -43.53 1.46 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.586 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 3.1 m-85 -44.33 161.26 0.22 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.451 0.736 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.449 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.5 Cg_endo -74.99 127.01 10.34 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.506 1.793 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.507 ' CG2' HG21 ' A' ' 28' ' ' VAL . 6.4 p -132.89 31.88 3.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.53 152.15 42.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.22 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.459 ' HA ' HD12 ' A' ' 57' ' ' ILE . 7.2 m-85 -52.24 -55.58 20.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.43 ' CG ' ' N ' ' A' ' 38' ' ' SER . 6.6 p-10 -61.12 -50.44 73.21 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 5.0 m -49.82 -52.84 29.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.4 mt -69.76 -33.71 57.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.555 ' CG ' HG11 ' A' ' 50' ' ' VAL . 3.1 tttm -56.81 -38.79 73.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -74.6 -32.86 62.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -64.77 -47.35 78.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.879 ' HA ' HD23 ' A' ' 46' ' ' LEU . 31.6 mt -53.36 -53.28 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -67.79 -43.77 78.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.93 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -24.52 58.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.006 HD21 ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -88.64 -25.66 22.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.25 21.94 5.71 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 1.006 ' CD2' HD21 ' A' ' 46' ' ' LEU . 12.4 m-30 -112.79 175.2 5.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.463 ' CB ' ' HB3' ' A' ' 60' ' ' SER . 0.3 OUTLIER -114.91 156.54 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.555 HG11 ' CG ' ' A' ' 40' ' ' LYS . 2.4 p -139.0 130.07 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -112.82 144.48 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -99.13 97.94 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.123 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.06 95.05 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.263 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.21 -103.15 0.81 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.448 1.093 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.509 ' C ' HD23 ' A' ' 56' ' ' LEU . 4.5 m-20 -119.52 -1.92 10.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.546 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -96.27 164.32 12.71 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 69' ' ' ILE . 0.7 OUTLIER -109.67 140.67 27.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.454 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 32.4 mm -123.18 131.61 72.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.29 134.22 47.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 49' ' ' ASP . 8.1 t -108.74 104.39 13.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.946 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.927 HG22 ' CD2' ' A' ' 48' ' ' PHE . 9.0 pt -124.38 153.05 68.99 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.519 1.137 . . . . 0.0 109.37 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 133.03 16.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.45 1.763 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.06 -24.6 31.34 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 111.066 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.824 HG21 HD12 ' A' ' 67' ' ' ILE . 2.3 mp -106.78 152.54 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.593 0.819 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 -62.62 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -155.29 138.43 15.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.824 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.5 148.8 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.214 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.722 ' C ' HD13 ' A' ' 69' ' ' ILE . 8.7 mt-10 -110.19 144.7 38.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.722 HD13 ' C ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -126.15 123.44 63.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.782 ' CB ' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -116.47 89.32 26.78 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.67 9.5 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.464 1.77 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 0.6 OUTLIER -130.99 145.32 52.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -55.09 -43.29 73.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.085 . . . . 0.0 109.224 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HB3' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -64.27 -62.83 1.36 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.424 ' CD ' ' HB3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -153.48 -173.01 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.832 HD11 HG22 ' A' ' 104' ' ' THR . 3.6 pt -130.99 158.18 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.804 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -141.05 155.05 46.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 24' ' ' ARG . 4.2 m -127.07 138.34 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.362 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -130.94 117.81 19.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.1 p -111.48 175.11 5.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -118.99 -87.1 1.09 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -140.36 135.17 31.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.61 ' OH ' ' CD1' ' A' ' 96' ' ' TYR . 3.4 m-85 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.522 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 20.3 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.616 ' HA ' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -54.16 -29.89 47.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.413 ' N ' ' HG2' ' A' ' 89' ' ' LYS . 3.1 tp -74.7 -32.47 62.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -74.92 -51.61 13.35 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 89' ' ' LYS . 21.7 m -61.19 -38.3 79.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 89' ' ' LYS . 1.6 t -51.57 -34.33 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.491 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -67.42 -30.24 69.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 2.1 m -86.83 -36.24 18.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.61 ' CD1' ' OH ' ' A' ' 83' ' ' TYR . 29.0 t80 -70.79 -32.22 69.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -77.1 -37.66 53.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -66.0 -37.23 85.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.649 ' CE1' HD22 ' A' ' 103' ' ' LEU . 6.1 t80 -62.03 -41.18 97.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.683 HG21 ' CD2' ' A' ' 26' ' ' TYR . 9.6 mm -77.04 -46.74 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -48.53 -32.89 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.193 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.43 -26.95 27.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.649 HD22 ' CE1' ' A' ' 99' ' ' PHE . 4.2 mp -83.22 -16.45 46.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.832 HG22 HD11 ' A' ' 76' ' ' ILE . 82.3 p -110.2 -44.18 3.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.586 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 80.4 5.1 89.98 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.544 1.153 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.527 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 7.9 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.741 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 78' ' ' VAL . 30.5 ttm . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.528 0.204 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.661 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -103.13 141.62 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.59 132.42 51.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.659 ' HB3' HG21 ' A' ' 104' ' ' THR . 70.6 m-85 -124.28 141.85 38.5 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 178.46 7.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.477 HG21 ' CG2' ' A' ' 34' ' ' THR . 12.3 p -130.21 139.38 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.596 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -86.99 145.79 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 16.6 tttt -66.84 108.74 2.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.46 -48.18 0.97 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.487 1.117 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.596 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 3.7 m-85 -40.39 160.46 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 127.2 10.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.801 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.477 ' CG2' HG21 ' A' ' 28' ' ' VAL . 30.1 p -128.29 22.33 6.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.54 143.8 41.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.562 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 10.8 m-85 -52.85 -53.41 49.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -46.83 88.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.6 m -52.52 -52.91 52.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.342 1.026 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.641 ' CG2' HD21 ' A' ' 103' ' ' LEU . 50.7 mt -63.83 -37.92 80.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.59 ' HG2' HG11 ' A' ' 50' ' ' VAL . 1.5 mtmm -51.8 -39.63 59.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.484 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.1 mpt_? -76.76 -35.44 57.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -64.14 -36.62 84.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.796 ' HA ' HD23 ' A' ' 46' ' ' LEU . 28.0 mt -66.88 -54.97 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -67.24 -27.21 67.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.1 mm-40 -67.71 -27.3 66.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.572 1.17 . . . . 0.0 110.4 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -90.16 -22.53 21.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.55 27.23 3.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.788 ' CZ ' HD11 ' A' ' 46' ' ' LEU . 8.6 m-30 -112.12 170.64 8.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.81 157.87 21.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 1.188 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.59 HG11 ' HG2' ' A' ' 40' ' ' LYS . 2.3 p -144.27 135.52 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 109.31 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -115.44 143.54 45.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.7 p -97.31 106.43 18.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.06 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.89 116.42 30.6 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 48.46 -108.77 0.42 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.587 1.18 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.534 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -117.35 -0.21 12.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.555 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.4 mt -97.69 158.98 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.742 HG22 ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -107.11 138.21 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.563 ' O ' HG23 ' A' ' 50' ' ' VAL . 39.0 mm -116.9 129.08 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 109.372 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.485 ' HB3' HG12 ' A' ' 67' ' ' ILE . . . -107.11 142.23 37.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.16 113.85 22.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.068 HD11 HD12 ' A' ' 64' ' ' ILE . 6.6 pt -130.39 158.5 74.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 130.41 13.26 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.806 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.29 -26.12 25.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 1.068 HD12 HD11 ' A' ' 61' ' ' ILE . 22.0 mt -107.91 143.87 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.731 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.8 t -77.06 -61.46 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.07 144.2 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.628 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -137.67 153.29 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.487 ' C ' HD12 ' A' ' 69' ' ' ILE . 7.9 mt-10 -119.2 137.3 53.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.742 ' O ' HG22 ' A' ' 57' ' ' ILE . 4.6 mp -136.78 141.36 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.515 ' HE3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -132.97 99.65 14.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.548 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -75.06 128.54 11.51 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.482 1.78 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.7 154.22 47.37 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.56 1.162 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -58.54 -39.76 81.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -68.27 -67.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 110.326 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.96 -175.31 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.385 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.817 HD11 HG22 ' A' ' 104' ' ' THR . 1.1 pt -127.02 152.31 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.799 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -132.46 154.81 49.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.578 1.173 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 24' ' ' ARG . 10.3 m -125.36 141.66 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -132.8 112.62 12.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.3 p -104.78 142.15 35.22 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.151 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -79.71 -85.85 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.57 1.169 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.14 112.62 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 110.898 -179.922 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ALA . 12.1 m-20 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.575 ' HA ' HG22 ' A' ' 92' ' ' VAL . 5.6 mttt -49.56 -28.46 5.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.467 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.3 OUTLIER -76.22 -35.24 59.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -71.68 -52.1 19.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' A' ' 89' ' ' LYS . 33.0 m -57.59 -44.51 85.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.379 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.69 -36.81 77.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.408 1.068 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -62.89 -36.06 82.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -85.94 -39.69 16.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.44 ' CE2' HG13 ' A' ' 100' ' ' ILE . 60.0 t80 -62.13 -31.54 72.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 0.8 OUTLIER -70.23 -38.79 75.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.22 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -62.08 -39.72 93.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.333 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.662 ' CE1' HD22 ' A' ' 103' ' ' LEU . 21.5 t80 -67.91 -52.04 40.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.597 HG21 ' CE2' ' A' ' 26' ' ' TYR . 20.3 mm -65.23 -51.14 68.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 97' ' ' ASN . 45.9 tt0 -48.03 -32.72 6.99 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -83.03 -29.26 29.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.662 HD22 ' CE1' ' A' ' 99' ' ' PHE . 2.3 mp -81.74 -17.29 48.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.817 HG22 HD11 ' A' ' 76' ' ' ILE . 21.2 p -107.23 -42.29 4.89 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.583 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 90.06 -28.98 6.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.523 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 10.0 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.6 ttp . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.572 0.225 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -96.83 154.19 17.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.459 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 2.1 mt-10 -119.53 134.56 55.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.655 ' CE2' HG21 ' A' ' 100' ' ' ILE . 25.0 m-85 -124.95 143.61 44.49 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HG2' ' CD2' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.02 172.12 16.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.77 . . . . 0.0 111.06 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.46 HG21 ' HB ' ' A' ' 34' ' ' THR . 7.6 p -120.61 117.88 54.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -65.17 145.06 56.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -63.97 104.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.73 -45.06 1.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 3.5 m-85 -44.67 160.25 0.24 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.76 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 128.11 11.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 34' ' ' THR . 3.5 t -134.93 30.2 3.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.623 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -123.85 150.23 44.82 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.466 1.104 . . . . 0.0 109.382 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.538 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 13.8 m-85 -52.47 -55.35 22.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -64.26 -51.54 63.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.46 ' HB2' ' CB ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -50.08 -49.26 52.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 35' ' ' ASP . 9.2 mt -64.53 -42.23 94.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.482 ' CD ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -51.22 -49.06 61.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.3 mpt_? -55.64 -43.56 76.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -45.88 90.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.399 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.814 HG21 HG13 ' A' ' 50' ' ' VAL . 9.0 mt -60.21 -54.17 38.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.142 . . . . 0.0 109.22 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.8 t -67.12 -24.15 65.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -71.88 -41.74 67.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.062 HD11 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -77.3 -16.84 58.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.39 34.46 5.82 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 1.062 ' CE1' HD11 ' A' ' 46' ' ' LEU . 2.4 m-30 -104.47 142.88 33.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 0.808 . . . . 0.0 111.064 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 60' ' ' SER . 0.3 OUTLIER -77.67 147.15 35.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.391 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.814 HG13 HG21 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -148.97 140.24 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.247 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.17 146.3 49.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -110.32 104.22 12.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.93 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -123.87 121.49 35.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.83 -119.52 11.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.594 1.184 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.47 ' C ' HD23 ' A' ' 56' ' ' LEU . 61.4 m-20 -120.53 -3.22 9.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.576 0.809 . . . . 0.0 109.215 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.512 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.7 mt -95.52 158.32 15.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.528 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -108.36 141.06 24.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 0.0 109.354 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.491 ' O ' HG12 ' A' ' 50' ' ' VAL . 18.4 mm -119.46 127.1 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.624 1.203 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -111.07 135.23 51.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.087 . . . . 0.0 109.364 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.474 ' HB3' ' CB ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -112.1 120.21 41.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.021 HD11 HD12 ' A' ' 64' ' ' ILE . 6.5 pt -128.02 159.96 64.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 128.98 11.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.0 -24.99 29.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 1.021 HD12 HD11 ' A' ' 61' ' ' ILE . 30.2 mt -107.09 147.66 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -78.75 -62.46 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.23 143.11 19.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.615 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.76 146.79 25.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.686 ' C ' HD12 ' A' ' 69' ' ' ILE . 5.3 mt-10 -110.45 137.16 48.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.826 HG13 HG13 ' A' ' 78' ' ' VAL . 2.3 mp -122.47 144.83 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -138.65 89.38 13.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.234 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.538 ' HG2' ' CD1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -75.09 128.2 11.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.66 153.76 48.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -54.28 -40.13 67.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -69.45 -68.96 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.13 -177.58 6.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.602 1.189 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.755 ' C ' HD13 ' A' ' 77' ' ' LEU . 1.5 pt -127.25 153.79 36.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.402 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.799 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.11 154.26 50.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.826 HG13 HG13 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -132.9 147.33 31.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.355 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -126.66 123.98 38.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.4 p -100.01 148.91 24.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.411 1.07 . . . . 0.0 110.433 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.65 -108.37 1.95 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.562 1.164 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -128.38 117.46 21.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 0.0 109.392 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.788 ' OH ' HD11 ' A' ' 64' ' ' ILE . 3.2 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.45 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 31.9 m-20 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.894 ' O ' HG23 ' A' ' 93' ' ' VAL . 4.0 pttt -56.52 -28.86 61.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 mp -75.67 -35.84 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -61.95 -51.65 67.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.03 -35.42 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.7 t -51.62 -32.12 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.378 1.049 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -29.13 66.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.235 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -86.09 -40.06 16.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -65.12 -35.13 80.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 2.4 m-80 -74.46 -34.54 63.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.355 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -63.87 -32.31 73.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.483 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 31.2 t80 -75.22 -52.11 11.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.655 HG21 ' CE2' ' A' ' 26' ' ' TYR . 22.1 mm -67.15 -45.88 85.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 97' ' ' ASN . 3.0 tm-20 -50.13 -32.45 15.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -23.99 22.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.398 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.483 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -81.94 -22.54 36.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.487 HG21 ' HB3' ' A' ' 26' ' ' TYR . 65.3 p -114.12 -46.45 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.367 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 100.09 -32.04 7.76 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.609 1.193 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.533 ' CD2' ' HG2' ' A' ' 27' ' ' PRO . 51.5 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.971 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.9 ttm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.449 0.166 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -108.2 143.91 36.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.449 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 1.7 mt-10 -97.51 134.42 40.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.369 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CD2' HG23 ' A' ' 78' ' ' VAL . 22.1 m-85 -113.21 146.67 35.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 110.947 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 26' ' ' TYR . 18.4 Cg_endo -74.92 165.89 30.4 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.479 1.778 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.723 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.5 t -119.27 139.65 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -84.1 144.94 28.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -72.03 110.58 6.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.58 -35.74 3.75 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.54 1.15 . . . . 0.0 111.045 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 4.5 m-85 -55.71 159.01 5.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.24 28.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.5 p -136.01 27.79 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.98 143.13 45.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.549 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 9.7 m-85 -51.18 -55.36 18.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.67 -49.1 73.84 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.05 -50.75 58.02 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.508 1.13 . . . . 0.0 110.069 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.663 HG23 HD21 ' A' ' 103' ' ' LEU . 11.6 mt -65.96 -39.89 85.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.682 ' CG ' HG21 ' A' ' 50' ' ' VAL . 14.3 mtpt -52.89 -40.92 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.7 mpt_? -75.0 -32.75 61.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.654 ' HG2' HD12 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -66.29 -39.31 89.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.835 ' HA ' HD23 ' A' ' 46' ' ' LEU . 31.9 mt -64.83 -52.46 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.8 t -67.91 -32.25 72.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.048 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.4 mm-40 -61.82 -24.4 66.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.071 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -91.83 -24.47 19.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.351 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.84 31.18 2.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.452 1.095 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 1.071 ' CE2' HD11 ' A' ' 46' ' ' LEU . 12.4 m-30 -119.1 174.93 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.975 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.46 161.52 17.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.178 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.682 HG21 ' CG ' ' A' ' 40' ' ' LYS . 1.4 p -135.37 127.26 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -112.09 144.33 41.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 m -111.07 116.54 31.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.86 93.86 4.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.563 1.165 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.3 -107.65 2.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.542 ' C ' HD23 ' A' ' 56' ' ' LEU . 33.3 m-20 -121.52 -0.04 9.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.244 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.572 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.4 mt -97.47 158.82 15.28 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.549 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.2 tt -106.38 138.76 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.364 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 11.1 mm -117.75 142.62 31.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.57 1.168 . . . . 0.0 109.259 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.71 142.93 46.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.72 108.57 18.49 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.004 HD11 HD12 ' A' ' 64' ' ' ILE . 8.9 pt -132.29 152.27 79.8 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 136.01 19.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.584 1.834 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.53 -25.66 27.01 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.563 1.164 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 1.004 HD12 HD11 ' A' ' 61' ' ' ILE . 18.9 mt -107.62 141.86 21.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -76.75 -62.66 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.959 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -155.1 139.97 17.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.65 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -136.32 151.44 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.606 ' C ' HD12 ' A' ' 69' ' ' ILE . 4.1 mt-10 -116.23 135.74 53.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.748 HG13 HG13 ' A' ' 78' ' ' VAL . 2.5 mp -121.71 144.72 29.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HE3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -138.29 93.48 11.44 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 36' ' ' TYR . 18.4 Cg_endo -74.93 126.68 10.17 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.83 150.76 52.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -55.59 -39.96 71.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -68.31 -68.91 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.248 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.85 -173.27 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.374 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.879 ' C ' HD13 ' A' ' 77' ' ' LEU . 4.8 pt -130.8 163.33 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.879 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -148.93 153.36 37.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.748 HG13 HG13 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -133.01 147.2 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -126.49 118.26 24.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.1 p -102.57 139.87 37.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.95 -99.62 0.75 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -129.07 146.34 51.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 109.357 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.652 ' OH ' HD11 ' A' ' 64' ' ' ILE . 3.8 m-30 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.634 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 48.1 m-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.536 ' HA ' HG22 ' A' ' 92' ' ' VAL . 9.3 mtmt -50.76 -28.8 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.06 -36.43 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.184 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -74.86 -51.63 13.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 88' ' ' ASP . 2.5 m -56.47 -27.91 25.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.7 t -72.03 -36.41 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.244 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.462 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -64.41 -27.8 69.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.453 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 2.5 m -86.8 -34.55 19.52 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.462 ' CD1' ' CD1' ' A' ' 64' ' ' ILE . 44.1 t80 -73.79 -35.04 64.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -41.72 70.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.0 -32.66 74.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.654 ' CE1' HD22 ' A' ' 103' ' ' LEU . 2.9 t80 -67.05 -45.95 75.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.447 ' O ' HG23 ' A' ' 104' ' ' THR . 10.1 mm -78.04 -36.04 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.466 ' O ' ' CA ' ' A' ' 105' ' ' GLY . 22.5 tt0 -56.0 -34.05 65.44 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.418 1.074 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -90.48 -15.15 31.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.382 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.663 HD21 HG23 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -88.82 -27.31 21.17 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.603 HG22 HD11 ' A' ' 76' ' ' ILE . 22.0 p -115.55 -32.21 5.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.428 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 101' ' ' GLU . . . 97.51 -37.3 3.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.583 1.177 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.486 0.756 . . . . 0.0 111.031 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -119.59 125.31 48.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -98.37 123.9 42.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 53.6 m-85 -115.4 146.25 36.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 26' ' ' TYR . 18.1 Cg_endo -75.01 173.48 14.43 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.619 1.852 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.76 ' CG2' HG23 ' A' ' 76' ' ' ILE . 4.0 t -125.7 135.41 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.554 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -81.84 147.07 29.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 10.9 mtpt -70.55 106.35 3.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.05 -47.19 1.05 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 104' ' ' THR . 3.8 m-85 -40.77 159.97 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.803 . . . . 0.0 111.069 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 137.03 21.16 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.453 1.765 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 p -137.25 32.38 2.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.396 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.03 148.98 44.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.633 1.208 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.558 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 7.3 m-85 -55.6 -54.23 46.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -51.68 68.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.98 -52.86 30.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.055 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.965 HG22 HD11 ' A' ' 43' ' ' ILE . 50.8 mt -64.14 -38.58 82.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.534 ' HG2' HG11 ' A' ' 50' ' ' VAL . 16.4 mttm -56.07 -40.82 74.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.472 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.9 mpt_? -74.88 -38.81 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -36.9 85.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.965 HD11 HG22 ' A' ' 39' ' ' ILE . 22.4 mt -66.26 -50.86 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 t -71.3 -24.74 62.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.8 mm-40 -77.65 -23.39 49.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.348 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.924 HD21 ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.13 -23.53 22.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.59 23.46 5.06 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.924 ' CD2' HD21 ' A' ' 46' ' ' LEU . 10.5 m-30 -112.11 171.95 7.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 0.779 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.467 ' CB ' ' HB2' ' A' ' 60' ' ' SER . 0.2 OUTLIER -114.55 161.77 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.534 HG11 ' HG2' ' A' ' 40' ' ' LYS . 2.5 p -141.83 130.48 22.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -114.05 144.59 42.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.612 1.195 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.2 p -101.99 99.99 10.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.79 90.83 3.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.75 -110.8 3.14 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.481 ' C ' HD23 ' A' ' 56' ' ' LEU . 30.6 m-20 -114.67 -4.45 12.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 0.72 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.544 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.2 mt -95.39 160.53 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.535 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.2 tt -108.38 140.3 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 12.7 mm -117.31 130.97 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.48 141.04 36.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.467 ' HB2' ' CB ' ' A' ' 49' ' ' ASP . 2.7 m -112.34 103.91 12.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.047 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.856 HD11 HD13 ' A' ' 64' ' ' ILE . 8.0 pt -121.51 154.56 59.66 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.81 20.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.426 1.75 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.55 -25.42 26.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.578 1.174 . . . . 0.0 111.029 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.856 HD13 HD11 ' A' ' 61' ' ' ILE . 2.3 mp -107.44 150.64 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.394 0.702 . . . . 0.0 109.355 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.9 m -81.96 -62.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.032 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -155.24 141.89 18.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.603 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.69 150.4 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.8 mt-10 -107.79 137.28 46.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.544 HD13 HG13 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -118.48 140.74 40.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.459 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -135.24 88.29 26.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.558 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.4 Cg_endo -74.96 127.5 10.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.58 1.831 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -131.34 149.41 52.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 109.273 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -56.96 -35.27 68.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.68 -63.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.259 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 1.0 OUTLIER -153.78 178.28 10.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.187 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.89 ' C ' HD13 ' A' ' 77' ' ' LEU . 4.2 pt -126.25 158.53 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.89 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -144.78 154.1 42.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.544 HG13 HD13 ' A' ' 69' ' ' ILE . 3.4 t -132.74 149.53 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.393 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -133.52 130.2 38.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.4 p -110.48 163.97 13.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -110.82 -76.06 0.83 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -146.14 138.93 25.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.431 ' HB3' ' CG ' ' A' ' 89' ' ' LYS . 2.9 m-85 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.592 1.183 . . . . 0.0 110.967 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.418 ' O ' HG13 ' A' ' 92' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.798 ' O ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -52.82 -28.66 23.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.202 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.62 -32.28 69.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.11 -50.17 17.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' A' ' 89' ' ' LYS . 1.6 m -63.41 -26.69 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.3 t -62.89 -37.65 79.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 95' ' ' THR . 1.6 ppt_? -68.62 -25.02 64.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.468 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 2.9 m -86.43 -31.78 21.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -74.46 -43.07 57.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.403 1.065 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.9 -39.74 87.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -36.7 84.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 109.366 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.51 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 15.7 t80 -65.29 -51.52 60.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 104' ' ' THR . 46.7 mm -70.46 -39.35 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 105' ' ' GLY . 34.8 tt0 -55.13 -35.07 64.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.03 -25.15 23.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.51 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 1.6 mp -80.61 -18.99 46.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.579 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 74.6 p -115.14 -46.74 2.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.569 ' HA3' ' CZ ' ' A' ' 32' ' ' PHE . . . 107.27 -36.06 4.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.574 1.171 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 111.071 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.9 ttp . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.454 0.169 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.7 148.13 30.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -108.41 128.55 54.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.673 ' CE2' HG21 ' A' ' 100' ' ' ILE . 31.2 m-85 -118.46 144.89 36.12 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.454 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 167.04 27.93 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -117.66 144.18 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -90.0 145.72 24.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -66.77 99.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.372 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.42 -39.32 2.32 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 2.1 m-85 -50.34 161.65 0.59 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 128.51 11.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 34' ' ' THR . 6.7 t -138.38 30.93 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.413 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.03 147.55 50.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.569 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 9.9 m-85 -48.0 -53.79 15.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -60.95 -51.62 68.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -52.8 37.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.812 HG22 HD11 ' A' ' 43' ' ' ILE . 67.8 mt -64.87 -36.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.536 ' HG2' HG21 ' A' ' 50' ' ' VAL . 3.8 mtmt -56.27 -40.38 74.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.239 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.4 mpt_? -76.9 -35.71 57.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -35.26 79.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.9 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.0 mt -65.46 -52.42 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 t -70.51 -34.94 72.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.7 mm-40 -63.6 -25.01 68.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.055 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -86.39 -26.03 24.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.72 29.16 2.96 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.609 1.193 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 1.055 ' CE2' HD11 ' A' ' 46' ' ' LEU . 14.7 m-30 -119.76 176.17 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.806 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.89 162.19 18.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.536 HG21 ' HG2' ' A' ' 40' ' ' LYS . 1.4 p -139.9 133.73 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.067 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -110.75 143.73 40.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.0 p -104.22 102.54 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.946 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.57 96.17 6.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.398 1.061 . . . . 0.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.09 -108.31 2.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.557 ' C ' HD23 ' A' ' 56' ' ' LEU . 25.1 m-20 -117.27 -1.62 11.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.771 HD12 ' OE2' ' A' ' 68' ' ' GLU . 2.7 mt -96.41 154.64 17.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.556 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.5 tt -106.64 138.09 34.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 36.9 mm -117.69 136.81 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.524 ' HB3' ' CG1' ' A' ' 67' ' ' ILE . . . -104.47 139.12 39.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.32 96.28 6.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.074 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.828 HD11 HD12 ' A' ' 64' ' ' ILE . 16.8 pt -121.81 153.03 60.03 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 136.3 20.23 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.523 1.802 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.407 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 99.54 -25.14 29.41 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.828 HD12 HD11 ' A' ' 61' ' ' ILE . 4.3 mt -107.02 162.25 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.41 0.712 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.439 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 31.7 t -96.54 -62.51 1.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.33 135.49 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 110.218 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.524 ' CG1' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -134.56 148.55 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.771 ' OE2' HD12 ' A' ' 56' ' ' LEU . 5.3 mt-10 -108.38 136.57 47.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.474 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -119.37 138.52 49.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -133.05 88.46 36.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -74.9 132.57 15.71 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.17 148.71 46.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -55.57 -43.26 75.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -64.31 0.9 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.748 ' CE ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -150.53 -166.49 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.77 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.0 pt -141.04 155.21 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.804 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -140.21 153.48 46.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.401 1.063 . . . . 0.0 109.284 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.512 HG23 ' CD2' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -133.2 147.2 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.437 ' OD1' ' CB ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -134.89 127.77 31.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.408 ' HA ' HG22 ' A' ' 67' ' ' ILE . 69.5 p -97.53 145.92 25.77 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.457 1.098 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -100.2 -100.02 2.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -115.82 113.73 23.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.594 0.82 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 111.011 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.519 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 8.7 m-20 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.531 ' HA ' HG22 ' A' ' 92' ' ' VAL . 0.2 OUTLIER -49.91 -29.07 7.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.03 -34.8 59.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.519 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -73.08 -51.12 19.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.531 HG22 ' HA ' ' A' ' 89' ' ' LYS . 4.9 m -59.16 -33.37 50.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.9 t -72.7 -44.71 59.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -63.16 -27.35 69.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 16.7 m -86.66 -26.51 24.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.375 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -78.49 -34.55 47.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 93' ' ' VAL . 4.5 m120 -73.01 -41.43 64.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.185 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.64 -37.83 82.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.547 ' CE2' HD22 ' A' ' 103' ' ' LEU . 39.6 t80 -67.12 -48.04 69.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.673 HG21 ' CE2' ' A' ' 26' ' ' TYR . 50.0 mm -70.41 -38.27 73.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.615 1.197 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -54.82 -32.67 60.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.55 -22.51 28.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.547 HD22 ' CE2' ' A' ' 99' ' ' PHE . 5.7 mp -89.16 -13.31 38.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.374 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 100' ' ' ILE . 81.7 p -113.86 -48.79 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.596 1.185 . . . . 0.0 110.454 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.569 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 81.86 3.22 90.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.578 1.174 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.454 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 5.7 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.812 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.545 ' HE2' ' HB2' ' A' ' 77' ' ' LEU . 7.7 ttt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.503 0.192 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.42 132.47 53.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -87.6 140.38 29.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.297 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.699 ' CD2' HG21 ' A' ' 100' ' ' ILE . 23.4 m-85 -116.92 142.55 30.0 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 26' ' ' TYR . 18.5 Cg_endo -74.94 172.22 16.78 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.444 1.76 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.439 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.1 t -123.41 140.82 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 2.0 tpmt? -99.38 146.45 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 3.7 mptt -64.98 112.15 3.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.24 28.91 2.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 29' ' ' LYS . 17.0 m-85 -131.02 155.0 82.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 138.24 22.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 p -133.84 31.69 3.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.16 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.89 149.64 49.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.161 . . . . 0.0 109.216 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 10.9 m-85 -53.3 -55.31 25.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.572 1.17 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -50.25 74.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 1.086 . . . . 0.0 109.357 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -50.0 -52.96 29.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.058 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.953 HG22 HD11 ' A' ' 43' ' ' ILE . 52.5 mt -64.8 -40.07 87.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.811 ' HG2' HG21 ' A' ' 50' ' ' VAL . 1.6 mtmt -50.11 -37.2 32.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.1 mpt_? -77.44 -39.8 45.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.203 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -63.18 -33.88 76.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.953 HD11 HG22 ' A' ' 39' ' ' ILE . 11.2 mt -69.61 -55.17 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -68.09 -24.08 65.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.2 mm-40 -70.7 -19.98 62.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.821 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -98.11 -21.54 16.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.15 27.85 3.54 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.491 1.119 . . . . 0.0 111.06 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.773 ' CZ ' HD11 ' A' ' 46' ' ' LEU . 9.3 m-30 -113.76 172.11 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.07 161.71 18.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.811 HG21 ' HG2' ' A' ' 40' ' ' LYS . 1.9 p -142.15 127.51 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.608 ' N ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -103.44 142.69 33.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -106.19 88.52 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.956 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -94.78 103.95 15.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.97 -104.88 0.73 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.608 ' C ' HD23 ' A' ' 56' ' ' LEU . 6.5 m-20 -118.61 -0.05 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.608 HD23 ' C ' ' A' ' 55' ' ' ASP . 2.6 mt -99.96 154.83 18.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -115.19 135.03 56.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.478 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 34.1 mm -115.08 131.32 67.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.62 140.55 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.8 t -108.79 104.63 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.904 HD11 HD13 ' A' ' 64' ' ' ILE . 11.0 pt -126.21 152.94 74.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.74 16.97 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.771 . . . . 0.0 111.062 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.56 -25.91 26.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.09 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.904 HD13 HD11 ' A' ' 61' ' ' ILE . 3.1 mp -107.97 148.89 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.736 . . . . 0.0 109.231 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -81.41 -62.71 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -155.12 139.27 16.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.654 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -136.58 152.77 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.478 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 8.3 mt-10 -107.07 135.95 47.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.602 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -121.0 136.9 56.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.474 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.02 88.9 17.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.604 1.19 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.564 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -75.02 130.83 13.62 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.458 1.767 . . . . 0.0 111.066 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.53 148.58 49.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -49.98 -40.13 43.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.74 -67.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.15 -168.46 3.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.07 . . . . 0.0 109.254 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.824 ' C ' HD13 ' A' ' 77' ' ' LEU . 2.7 pt -134.69 158.88 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.824 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -141.32 154.49 45.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.381 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.574 HG13 HD13 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -132.59 147.18 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -129.02 123.99 33.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.442 ' HA ' HG22 ' A' ' 67' ' ' ILE . 75.7 p -97.99 151.69 20.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.46 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.12 -88.21 1.42 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -119.49 119.16 33.04 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.471 0.748 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.591 1.182 . . . . 0.0 111.009 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 91' ' ' ALA . 7.2 m-20 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.848 ' O ' HG23 ' A' ' 93' ' ' VAL . 2.6 pttt -49.42 -24.82 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.06 -37.13 58.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -73.72 -50.56 20.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.648 HG22 ' HA ' ' A' ' 89' ' ' LYS . 5.0 m -58.35 -32.49 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.637 1.211 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.0 t -52.46 -33.15 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.463 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -66.82 -29.58 69.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.6 m -84.6 -32.47 23.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -74.37 -36.75 63.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.75 -40.63 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.16 -38.29 82.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.275 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.636 ' CE1' HD22 ' A' ' 103' ' ' LEU . 29.3 t80 -64.04 -43.88 94.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.699 HG21 ' CD2' ' A' ' 26' ' ' TYR . 21.5 mm -75.49 -37.72 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -54.97 -34.51 63.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.352 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.62 -17.12 29.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.378 1.049 . . . . 0.0 109.338 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.636 HD22 ' CE1' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -90.05 -16.55 29.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 100' ' ' ILE . 47.4 p -122.72 -42.81 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 32' ' ' PHE . . . 102.42 -33.85 6.21 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.566 ' CE1' ' HE3' ' A' ' 29' ' ' LYS . 31.3 m-85 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.45 0.735 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.5 ttp . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.443 0.163 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -113.12 138.4 49.99 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.538 1.149 . . . . 0.0 110.198 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -100.09 134.62 42.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' HG23 ' A' ' 78' ' ' VAL . 16.0 m-85 -121.98 143.3 38.39 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 175.08 11.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.4 p -130.14 139.94 50.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.602 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -85.8 146.66 26.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -69.12 116.53 9.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.371 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.12 -27.03 8.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.602 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 5.6 m-85 -66.02 160.56 62.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.394 0.702 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 131.26 14.08 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.463 ' O ' HG22 ' A' ' 34' ' ' THR . 1.1 m -125.85 5.29 7.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -96.88 139.73 32.49 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.485 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.9 m-85 -48.32 -55.04 11.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.611 1.194 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -45.51 88.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.6 m -52.84 -45.87 67.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.547 ' CG2' HD21 ' A' ' 103' ' ' LEU . 13.6 mt -69.43 -37.32 74.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.635 1.21 . . . . 0.0 109.355 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.51 -36.42 61.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 109.361 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.1 mpt_? -77.26 -33.39 55.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -65.84 -43.23 89.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.8 ' HA ' HD23 ' A' ' 46' ' ' LEU . 20.0 mt -61.35 -54.49 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.0 t -65.54 -34.17 77.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.943 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -58.1 -36.13 72.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.042 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -80.67 -25.86 37.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.77 34.61 1.67 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.432 1.082 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 1.042 ' CE2' HD11 ' A' ' 46' ' ' LEU . 10.8 m-30 -119.97 172.39 7.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.759 . . . . 0.0 111.046 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.71 161.09 16.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.11 129.32 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.632 1.208 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -113.35 146.6 39.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.5 p -104.08 114.59 28.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.932 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -111.98 95.48 5.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.36 -102.24 0.65 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.449 1.093 . . . . 0.0 111.041 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.524 ' C ' HD23 ' A' ' 56' ' ' LEU . 11.7 m-20 -118.6 -1.43 11.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 109.379 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.539 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.5 mt -97.73 159.15 15.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.485 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -107.57 139.33 29.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.157 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 10.2 mm -119.19 137.99 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.66 144.09 36.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.225 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.5 104.47 12.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.079 HD11 HD12 ' A' ' 64' ' ' ILE . 9.2 pt -129.87 146.9 63.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.366 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 61' ' ' ILE . 18.5 Cg_endo -74.98 137.43 21.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.437 1.756 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.495 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 100.13 -24.46 32.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 1.079 HD12 HD11 ' A' ' 61' ' ' ILE . 5.7 mt -106.49 159.77 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.42 0.718 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.1 t -92.37 -62.33 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 110.029 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.02 139.91 17.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.511 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.07 144.13 31.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.578 ' C ' HD12 ' A' ' 69' ' ' ILE . 7.2 mt-10 -114.31 138.26 50.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.601 1.188 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.69 HG13 HG13 ' A' ' 78' ' ' VAL . 2.6 mp -123.84 144.18 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.452 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -136.87 92.2 14.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.463 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.0 Cg_endo -75.06 127.21 10.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.31 149.95 50.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.403 1.064 . . . . 0.0 109.383 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -52.57 -29.01 23.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.396 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -79.1 -65.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.11 -166.66 2.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.874 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.8 pt -134.57 157.32 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.874 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -142.2 154.14 44.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.69 HG13 HG13 ' A' ' 69' ' ' ILE . 0.7 OUTLIER -133.22 148.27 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -131.44 122.74 26.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 47.0 p -101.49 144.91 29.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.437 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.85 -95.17 0.49 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -143.31 106.43 4.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.508 0.769 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.421 ' CD2' HG21 ' A' ' 92' ' ' VAL . 4.5 m-30 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.474 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 3.1 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.53 ' HA ' HG22 ' A' ' 92' ' ' VAL . 10.2 mttp -49.13 -28.5 4.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.478 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.2 OUTLIER -76.41 -36.72 57.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.176 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.474 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -69.24 -51.87 33.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 109.212 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 89' ' ' LYS . 35.6 m -56.99 -52.52 54.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.511 ' N ' HG23 ' A' ' 92' ' ' VAL . 3.5 t -55.69 -40.35 59.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 90' ' ' LEU . 9.3 mmt85 -62.44 -32.88 73.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.0 m -85.34 -40.16 16.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.406 ' CE1' HG13 ' A' ' 100' ' ' ILE . 29.5 t80 -65.41 -41.82 93.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.157 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -63.34 -40.88 98.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -59.77 -36.08 75.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.681 ' CE1' HD22 ' A' ' 103' ' ' LEU . 2.9 t80 -74.75 -47.15 32.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.504 HD12 HG21 ' A' ' 78' ' ' VAL . 33.7 mm -66.04 -49.46 76.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -50.59 -31.32 15.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -83.27 -24.91 32.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.681 HD22 ' CE1' ' A' ' 99' ' ' PHE . 1.9 mp -90.0 -13.54 35.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 100' ' ' ILE . 38.2 p -111.61 -34.1 6.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.583 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 65.48 9.32 43.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 3.0 m-85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' A' ' 78' ' ' VAL . 23.0 ttm . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.563 0.22 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.52 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -96.95 139.66 32.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 110.238 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -93.37 163.92 13.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.61 ' HD2' HG13 ' A' ' 78' ' ' VAL . 46.9 m-85 -163.28 137.93 4.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.6 Cg_endo -74.9 168.93 23.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.7 p -125.39 145.3 32.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -89.15 147.0 24.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.366 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 15.7 tttm -73.7 100.42 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.64 -39.54 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.594 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 2.1 m-85 -46.2 167.0 0.15 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.497 0.763 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.425 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.1 Cg_endo -75.08 130.31 13.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.4 p -130.17 21.82 5.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.47 141.98 48.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.567 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.0 m-85 -47.57 -56.27 7.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -56.67 -46.29 81.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.425 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 3.0 m -55.88 -50.24 71.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.471 ' CG2' HD21 ' A' ' 103' ' ' LEU . 56.3 mt -68.17 -33.62 61.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.374 1.047 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.898 ' HG3' HG21 ' A' ' 50' ' ' VAL . 3.1 mtpt -56.99 -42.52 80.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.16 . . . . 0.0 109.338 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.3 mpt_? -71.35 -32.11 68.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -64.53 -40.58 95.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.845 ' HA ' HD23 ' A' ' 46' ' ' LEU . 17.8 mt -61.72 -55.21 25.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.415 1.072 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 t -66.55 -34.4 77.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 110.058 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 2.0 mm-40 -64.08 -26.52 68.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 0.0 110.313 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.909 HD21 ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.6 -21.85 22.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.079 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.66 25.33 5.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.373 1.046 . . . . 0.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.909 ' CD2' HD21 ' A' ' 46' ' ' LEU . 10.7 m-30 -113.7 177.82 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.23 160.28 23.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.898 HG21 ' HG3' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -138.4 137.04 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -113.99 144.33 43.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -99.91 99.52 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -108.29 115.8 30.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 52.39 -109.06 0.79 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.589 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -121.52 3.78 10.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.798 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.691 HD12 ' OE2' ' A' ' 68' ' ' GLU . 2.6 mt -99.47 157.67 16.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.567 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.7 OUTLIER -103.16 133.98 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.078 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.803 HG21 ' HD3' ' A' ' 66' ' ' ARG . 24.0 mm -114.19 127.42 71.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.0 133.85 49.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.387 1.054 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 t -102.7 112.52 25.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 110.049 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.896 HD11 HD13 ' A' ' 64' ' ' ILE . 8.7 pt -133.37 153.9 80.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.78 22.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.46 -26.74 22.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.896 HD13 HD11 ' A' ' 61' ' ' ILE . 3.1 mp -108.56 156.49 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -89.63 -61.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.803 ' HD3' HG21 ' A' ' 58' ' ' ILE . 2.1 mtm-85 -154.7 135.67 13.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.708 HD12 HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -133.24 153.58 37.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.691 ' OE2' HD12 ' A' ' 56' ' ' LEU . 4.7 mt-10 -115.58 137.46 52.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.589 HD13 ' C ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -120.95 143.43 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.417 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 2.5 mppt? -137.89 92.19 12.89 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HG3' HD12 ' A' ' 39' ' ' ILE . 18.0 Cg_endo -75.05 138.33 22.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.86 148.67 37.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -63.32 -18.45 63.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -90.39 -65.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.75 -175.19 4.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.982 HD11 HG22 ' A' ' 104' ' ' THR . 1.3 pt -132.57 150.75 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.841 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.08 156.53 48.59 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.61 HG13 ' HD2' ' A' ' 26' ' ' TYR . 4.3 m -126.27 143.8 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -136.77 111.89 9.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.2 p -94.72 168.28 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.09 -72.89 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -134.54 133.75 40.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.532 ' CE2' HG23 ' A' ' 92' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.464 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 1.8 m-20 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.876 ' O ' HG23 ' A' ' 93' ' ' VAL . 24.3 mttm -48.44 -45.46 36.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.597 1.186 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.9 -27.2 68.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.263 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -75.77 -51.27 13.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.532 HG23 ' CE2' ' A' ' 83' ' ' TYR . 4.7 m -69.02 -21.72 25.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.2 t -57.32 -41.07 77.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.499 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -64.68 -26.88 68.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.1 m -86.57 -30.48 21.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.529 ' HB2' HD11 ' A' ' 64' ' ' ILE . 47.9 t80 -65.89 -49.4 68.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 101' ' ' GLU . 7.9 m-20 -68.55 -37.87 80.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -52.95 -40.89 64.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.658 ' CE1' HD22 ' A' ' 103' ' ' LEU . 13.5 t80 -67.95 -38.66 83.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.909 ' O ' HG23 ' A' ' 104' ' ' THR . 10.7 mm -74.85 -31.12 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -60.39 -35.21 75.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -19.81 33.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.658 HD22 ' CE1' ' A' ' 99' ' ' PHE . 2.5 mp -91.38 -11.8 36.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.982 HG22 HD11 ' A' ' 76' ' ' ILE . 60.7 p -116.3 -42.79 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.594 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 82.52 6.31 88.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.113 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.487 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 6.2 m-85 . . . . . 0 C--N 1.326 -0.414 0 O-C-N 124.546 0.792 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.55 0.214 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -105.1 128.79 53.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.362 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -97.88 128.27 44.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.495 ' HB3' HG21 ' A' ' 104' ' ' THR . 24.4 m-85 -117.14 149.31 44.13 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.531 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.1 Cg_endo -75.07 169.62 22.2 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.909 ' CG2' HG23 ' A' ' 76' ' ' ILE . 15.5 t -129.72 128.59 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.258 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -70.06 144.48 52.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 15.1 mttt -67.37 105.6 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.2 -43.85 1.42 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 2.4 m-85 -42.66 165.77 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.443 0.731 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 131.73 14.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.782 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.477 ' CG2' HG11 ' A' ' 28' ' ' VAL . 38.5 p -135.12 27.34 3.52 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -121.32 148.15 44.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.559 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 9.4 m-85 -55.72 -52.11 65.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.98 -48.02 81.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -56.28 -52.98 62.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.634 1.209 . . . . 0.0 110.063 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.91 HG22 HD11 ' A' ' 43' ' ' ILE . 48.0 mt -64.19 -39.41 85.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.827 ' HG3' HG11 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -50.68 -48.29 58.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.51 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.7 mpt_? -77.18 -29.73 54.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -39.0 90.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.91 HD11 HG22 ' A' ' 39' ' ' ILE . 9.4 mt -66.88 -53.12 37.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -67.79 -26.39 66.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -64.95 -19.18 65.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.074 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -96.42 -21.42 17.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.601 1.188 . . . . 0.0 109.248 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.37 32.57 2.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.404 1.065 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 1.074 ' CE2' HD11 ' A' ' 46' ' ' LEU . 11.2 m-30 -118.78 177.61 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.29 162.39 17.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.827 HG11 ' HG3' ' A' ' 40' ' ' LYS . 2.6 p -138.95 128.99 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -114.36 144.71 42.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 p -102.61 116.2 32.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.938 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -117.59 90.98 3.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.339 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.16 -106.5 1.99 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.435 ' C ' HD23 ' A' ' 56' ' ' LEU . 6.3 m-20 -118.48 -0.71 11.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 0.774 . . . . 0.0 109.233 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.54 HD12 ' OE2' ' A' ' 68' ' ' GLU . 3.8 mt -96.83 160.2 14.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.516 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -105.54 139.63 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 23.6 mm -119.91 132.66 69.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.57 139.64 43.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.57 1.169 . . . . 0.0 109.228 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.15 101.33 10.12 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.443 1.09 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.792 HG22 ' CD2' ' A' ' 48' ' ' PHE . 14.8 pt -122.66 153.21 62.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.57 ' HD3' ' CE1' ' A' ' 48' ' ' PHE . 18.2 Cg_endo -75.03 134.16 17.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.409 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 100.5 -25.46 28.22 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.56 1.163 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.784 HD13 ' CD1' ' A' ' 61' ' ' ILE . 4.0 mp -107.42 151.13 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -86.57 -62.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -155.3 138.32 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.763 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.7 144.33 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.394 1.059 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.813 ' C ' HD12 ' A' ' 69' ' ' ILE . 3.9 mt-10 -106.55 136.79 45.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.92 HG13 HG13 ' A' ' 78' ' ' VAL . 3.0 mp -125.36 141.23 45.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.498 ' HE3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -136.31 93.1 15.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.364 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.559 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.1 Cg_endo -75.01 129.17 12.09 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.802 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.79 149.84 52.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.247 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -52.89 -28.42 23.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.443 ' CD ' ' HE2' ' A' ' 75' ' ' LYS . 7.5 ttm180 -77.87 -67.78 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.443 ' HE2' ' CD ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -153.04 -172.05 4.12 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.604 1.19 . . . . 0.0 109.396 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.909 HG23 ' CG2' ' A' ' 28' ' ' VAL . 7.2 pt -128.39 162.34 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.855 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -149.84 151.17 33.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.544 1.153 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.92 HG13 HG13 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -133.5 146.71 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 3.1 p-10 -136.47 132.86 35.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.636 HG22 HG22 ' A' ' 67' ' ' ILE . 58.3 p -106.75 165.72 11.11 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.416 1.073 . . . . 0.0 110.404 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.78 -82.03 0.9 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.607 1.192 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -130.9 105.73 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 111.046 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.4 m-20 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -49.59 -25.43 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.33 -35.29 58.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -75.37 -51.79 12.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' A' ' 89' ' ' LYS . 4.1 m -54.83 -34.47 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.7 t -58.17 -44.48 87.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.365 1.041 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.9 mmm-85 -63.36 -31.46 72.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.191 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.1 m -85.3 -26.18 26.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.47 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.588 ' HB2' HD11 ' A' ' 64' ' ' ILE . 43.4 t80 -74.49 -55.63 5.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -58.41 -39.02 78.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -54.98 -38.73 68.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 0.0 109.39 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.647 ' CE1' HD22 ' A' ' 103' ' ' LEU . 6.6 t80 -75.75 -38.86 58.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.562 HD12 HG21 ' A' ' 78' ' ' VAL . 15.2 mm -68.96 -52.49 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' GLY . 86.6 mt-10 -49.76 -27.57 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.349 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.43 -27.19 24.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.647 HD22 ' CE1' ' A' ' 99' ' ' PHE . 3.5 mp -89.19 -15.0 34.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.823 HG22 HD11 ' A' ' 76' ' ' ILE . 22.5 p -113.17 -33.74 5.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.472 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.578 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 73.87 2.05 60.46 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.401 1.063 . . . . 0.0 111.059 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.531 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 3.6 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 78' ' ' VAL . 1.2 ttt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.508 0.194 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.6 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -121.44 143.21 49.37 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HG3' ' CE ' ' A' ' 23' ' ' MET . 1.0 OUTLIER -106.28 126.76 52.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.359 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.981 ' CE2' HG21 ' A' ' 100' ' ' ILE . 76.1 m-85 -115.13 143.74 30.83 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.535 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.4 Cg_endo -74.92 -174.5 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.612 1.849 . . . . 0.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.832 HG23 HG23 ' A' ' 76' ' ' ILE . 1.7 t -131.51 142.7 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.581 1.176 . . . . 0.0 109.39 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.522 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -94.47 143.61 26.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -67.41 99.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.7 -43.0 1.36 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 3.2 m-85 -48.37 157.69 0.67 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.446 0.733 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.434 ' CB ' ' HB2' ' A' ' 38' ' ' SER . 18.4 Cg_endo -75.01 136.97 21.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.7 p -128.79 33.15 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.43 162.21 24.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 6.9 m-85 -68.23 -48.6 64.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -52.43 65.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 33' ' ' PRO . 80.8 p -49.93 -52.91 29.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.596 1.185 . . . . 0.0 110.03 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.46 -40.76 89.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 109.409 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.724 ' HG2' HG21 ' A' ' 50' ' ' VAL . 5.6 mtpm? -53.06 -45.38 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' GLU . 1.9 mpt_? -68.7 -35.18 76.84 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.407 1.067 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -64.73 -39.35 93.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.926 ' HA ' HD23 ' A' ' 46' ' ' LEU . 37.0 mt -64.69 -50.32 76.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -71.2 -25.23 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.048 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' ARG . 1.1 mm-40 -77.94 -20.96 51.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.926 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -92.26 -19.76 21.84 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.148 . . . . 0.0 109.371 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.07 21.22 7.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.433 1.083 . . . . 0.0 111.026 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.923 ' CD2' HD21 ' A' ' 46' ' ' LEU . 11.7 m-30 -112.04 178.03 4.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.37 160.9 22.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 0.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.724 HG21 ' HG2' ' A' ' 40' ' ' LYS . 2.4 p -140.4 130.5 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -111.28 144.56 40.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.6 m -107.94 98.66 8.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.952 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -101.54 89.76 3.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.337 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.27 -111.12 3.22 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.507 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -115.8 -1.13 12.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.542 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -96.59 159.79 14.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.661 HD11 ' HG3' ' A' ' 40' ' ' LYS . 1.2 tt -110.36 141.25 26.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.08 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 14.2 mm -124.56 128.55 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.93 135.51 39.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.22 96.8 6.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.821 HG22 ' CD2' ' A' ' 48' ' ' PHE . 10.4 pt -119.43 152.79 53.33 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.185 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.32 16.49 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.441 1.758 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.02 -24.85 30.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.755 HD13 ' CD1' ' A' ' 61' ' ' ILE . 3.4 mp -107.07 148.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.9 t -83.3 -62.23 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 110.048 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.88 141.41 18.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.754 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -141.52 151.38 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.802 ' C ' HD13 ' A' ' 69' ' ' ILE . 8.9 mt-10 -110.22 142.19 42.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.802 HD13 ' C ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -127.31 136.68 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.227 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -138.49 91.25 12.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.53 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.7 Cg_endo -74.94 135.61 19.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -134.4 147.7 50.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.218 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -54.76 -31.61 58.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.159 . . . . 0.0 109.356 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.23 -69.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -146.5 178.94 7.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 1.045 HD11 HG22 ' A' ' 104' ' ' THR . 4.0 pt -124.59 157.82 32.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.822 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -139.12 152.96 47.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 24' ' ' ARG . 4.8 m -123.78 138.74 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -129.27 115.35 17.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.0 p -99.13 173.3 6.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -126.46 -74.56 0.21 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -139.51 135.89 33.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.417 0.716 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.416 1.072 . . . . 0.0 111.01 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.55 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 3.1 m-20 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.478 ' HA ' HG22 ' A' ' 92' ' ' VAL . 22.9 mttp -48.21 -26.55 1.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.422 HD23 HH12 ' A' ' 94' ' ' ARG . 0.4 OUTLIER -77.42 -47.84 18.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -61.34 -52.88 62.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 89' ' ' LYS . 23.3 m -53.43 -44.25 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.61 -37.91 75.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.488 ' HA ' ' ND2' ' A' ' 97' ' ' ASN . 5.8 mmt85 -65.51 -34.82 79.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -85.83 -25.26 26.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.569 ' HB2' HD11 ' A' ' 64' ' ' ILE . 65.1 t80 -80.97 -51.68 8.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.504 ' OD1' ' C ' ' A' ' 97' ' ' ASN . 0.9 OUTLIER -65.96 -37.02 84.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 17.9 t70 -63.91 -39.52 94.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.536 1.147 . . . . 0.0 109.367 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.697 ' CE2' HD22 ' A' ' 103' ' ' LEU . 39.6 t80 -64.94 -48.82 72.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.981 HG21 ' CE2' ' A' ' 26' ' ' TYR . 14.9 mm -65.46 -42.52 93.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -51.98 -35.6 46.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.239 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.36 -28.28 31.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.697 HD22 ' CE2' ' A' ' 99' ' ' PHE . 4.5 mp -81.13 -17.2 50.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.216 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 1.045 HG22 HD11 ' A' ' 76' ' ' ILE . 66.7 p -108.63 -37.33 5.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.587 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 89.31 -30.11 5.76 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.535 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 4.1 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.438 0.161 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.503 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 3.2 mmp_? -95.98 142.98 27.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.458 1.099 . . . . 0.0 110.147 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.71 123.96 47.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.442 ' CD2' HG21 ' A' ' 100' ' ' ILE . 16.2 m-85 -119.46 146.87 42.14 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.537 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.4 Cg_endo -74.99 170.0 21.39 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.786 HG21 HG22 ' A' ' 34' ' ' THR . 14.9 p -129.27 119.68 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.597 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -60.86 146.14 47.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -70.97 106.98 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 124.32 -45.1 1.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.599 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 3.7 m-85 -42.62 165.28 0.1 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.547 0.793 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.45 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.6 Cg_endo -74.93 130.3 13.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.781 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.786 HG22 HG21 ' A' ' 28' ' ' VAL . 15.5 p -130.22 27.05 5.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -120.84 145.64 47.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 8.6 m-85 -49.97 -54.87 17.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -60.01 -48.86 79.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.45 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 4.6 m -50.44 -52.9 33.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.787 HG22 HD11 ' A' ' 43' ' ' ILE . 55.2 mt -65.01 -37.81 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.682 ' CG ' HG11 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -54.83 -39.36 68.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.3 mpt_? -76.98 -35.58 57.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.595 1.184 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -33.99 76.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.88 ' HA ' HD23 ' A' ' 46' ' ' LEU . 17.9 mt -68.07 -51.39 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -70.99 -31.39 67.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 2.5 mm-40 -66.72 -21.87 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.248 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.048 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.98 -24.7 21.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.97 27.23 3.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.429 1.081 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 1.048 ' CE2' HD11 ' A' ' 46' ' ' LEU . 15.1 m-30 -118.08 177.84 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 111.048 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.2 OUTLIER -116.57 162.01 18.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.682 HG11 ' CG ' ' A' ' 40' ' ' LYS . 2.1 p -142.38 129.3 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -109.43 143.43 39.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.229 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -104.35 102.96 12.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.02 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -104.9 115.11 29.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 53.65 -107.84 0.69 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.473 ' C ' HD23 ' A' ' 56' ' ' LEU . 65.0 m-20 -117.13 -2.18 11.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 0.793 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.53 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -95.69 161.94 13.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.523 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -111.13 143.08 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.324 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.504 ' O ' HG23 ' A' ' 50' ' ' VAL . 7.3 mm -123.68 137.5 56.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.379 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.98 141.93 38.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -111.94 100.72 9.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.684 ' CD1' HD13 ' A' ' 64' ' ' ILE . 11.5 pt -121.07 156.29 57.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.548 ' HD3' ' CE1' ' A' ' 48' ' ' PHE . 18.3 Cg_endo -75.01 131.26 14.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.57 -26.51 24.31 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.134 . . . . 0.0 110.961 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.684 HD13 ' CD1' ' A' ' 61' ' ' ILE . 4.1 mp -108.37 140.75 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.96 -62.74 1.4 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.51 140.93 17.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.673 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -137.32 151.01 26.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.352 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.3 mt-10 -106.64 137.18 45.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.278 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.506 HD13 HG13 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -119.24 138.65 49.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.473 ' CB ' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -135.22 88.35 26.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 134.71 18.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 1.6 t0 -138.59 148.0 43.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -56.41 -30.02 62.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.412 ' N ' ' HG2' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -80.53 -64.89 1.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.276 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -150.64 -174.38 4.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.927 HD11 HG22 ' A' ' 104' ' ' THR . 1.7 pt -134.45 156.8 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.924 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -142.23 155.06 45.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.506 HG13 HD13 ' A' ' 69' ' ' ILE . 2.0 t -133.14 149.05 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -131.94 133.91 45.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.1 p -110.02 138.57 46.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.378 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.24 -93.59 1.8 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.89 110.51 17.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.585 ' O ' HG13 ' A' ' 92' ' ' VAL . 12.1 m-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.952 ' O ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -49.04 -30.17 5.93 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.441 1.088 . . . . 0.0 109.379 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tp -76.37 -34.13 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -75.24 -52.47 10.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.406 1.066 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 88' ' ' ASP . 2.8 m -53.37 -31.24 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.952 HG23 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -55.82 -40.7 63.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.382 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.492 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -62.68 -31.11 71.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 0.0 110.385 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 23.5 m -85.87 -30.54 22.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 1.046 . . . . 0.0 110.353 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.572 ' HB2' HD11 ' A' ' 64' ' ' ILE . 82.4 t80 -68.42 -45.82 71.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.49 -38.55 77.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -55.41 -37.71 67.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.389 1.056 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.543 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 11.1 t80 -72.54 -52.73 14.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.442 HG21 ' CD2' ' A' ' 26' ' ' TYR . 30.7 mm -58.58 -34.38 51.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 105' ' ' GLY . 24.9 tt0 -55.88 -43.14 76.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.233 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.08 -17.83 30.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.073 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.738 HD11 HG23 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -80.22 -28.81 38.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.248 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.927 HG22 HD11 ' A' ' 76' ' ' ILE . 71.6 p -112.38 -34.58 5.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.103 . . . . 0.0 110.386 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.599 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 92.71 -25.48 18.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.537 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 12.4 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.735 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.453 ' HE2' ' HB2' ' A' ' 79' ' ' ASN . 1.9 ttt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.477 0.18 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.491 ' HD2' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -109.78 142.91 40.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 110.335 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.97 124.23 47.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.58 ' HB3' HG21 ' A' ' 104' ' ' THR . 50.1 m-85 -115.91 139.54 25.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.947 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.545 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 164.95 32.32 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.695 ' CG2' HG23 ' A' ' 76' ' ' ILE . 6.7 t -121.37 135.14 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -80.27 143.55 33.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 3.8 ttmt -65.76 107.71 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 121.26 -41.3 1.92 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 2.6 m-85 -47.82 162.35 0.32 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.591 0.818 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.42 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.3 Cg_endo -75.08 131.36 14.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.812 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 p -133.48 26.53 4.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.41 144.43 45.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.573 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 7.7 m-85 -48.84 -54.57 14.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -57.78 -47.09 83.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.381 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.42 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 61.9 m -52.82 -52.89 55.22 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.438 1.087 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.808 HG22 HD11 ' A' ' 43' ' ' ILE . 11.5 mt -64.28 -37.84 80.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.941 ' HG2' HG21 ' A' ' 50' ' ' VAL . 7.7 mttm -53.35 -41.82 66.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -77.24 -32.53 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -66.4 -38.84 88.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.808 HD11 HG22 ' A' ' 39' ' ' ILE . 9.3 mt -63.44 -55.05 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.166 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.9 t -65.77 -34.83 79.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.41 -31.62 66.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.039 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -83.62 -25.26 30.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.77 33.54 1.86 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 1.039 ' CE2' HD11 ' A' ' 46' ' ' LEU . 11.1 m-30 -119.5 178.29 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.5 162.29 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.941 HG21 ' HG2' ' A' ' 40' ' ' LYS . 2.7 p -139.59 129.01 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.389 1.056 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -111.73 144.54 40.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.88 114.53 28.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -114.65 91.6 3.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.51 -104.52 1.38 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.435 1.084 . . . . 0.0 110.976 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.491 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -118.17 -1.71 11.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.756 . . . . 0.0 109.356 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.526 ' N ' HD23 ' A' ' 56' ' ' LEU . 3.0 mt -96.41 158.78 15.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.557 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -107.18 138.42 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.495 HD13 ' HG3' ' A' ' 68' ' ' GLU . 6.3 mm -120.37 137.09 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.469 ' HB3' ' CG1' ' A' ' 67' ' ' ILE . . . -106.14 147.22 29.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.56 106.86 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.026 HD11 HD13 ' A' ' 64' ' ' ILE . 7.1 pt -129.95 152.73 80.44 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 136.17 20.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.414 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 97.61 -26.22 24.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 1.026 HD13 HD11 ' A' ' 61' ' ' ILE . 1.6 mp -108.02 147.25 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.356 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -79.85 -62.19 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.097 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.3 144.57 21.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.562 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -137.32 149.7 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.232 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.602 ' C ' HD12 ' A' ' 69' ' ' ILE . 4.6 mt-10 -115.2 136.6 52.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.205 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.666 HG13 HG13 ' A' ' 78' ' ' VAL . 3.3 mp -128.27 144.59 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.351 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 2.0 mppt? -135.33 91.41 18.96 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -74.91 126.02 9.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.778 . . . . 0.0 111.085 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.4 152.63 48.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -54.01 -36.6 63.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -67.97 0.47 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 1.147 . . . . 0.0 110.234 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.39 -177.92 6.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 109.347 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.838 ' C ' HD13 ' A' ' 77' ' ' LEU . 6.8 pt -125.45 160.2 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.838 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -147.12 152.47 38.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.813 HG21 HD12 ' A' ' 100' ' ' ILE . 3.2 t -133.35 149.18 31.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.453 ' HB2' ' HE2' ' A' ' 23' ' ' MET . 4.6 t-20 -134.48 123.42 23.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.4 p -95.85 133.88 39.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.21 -89.12 0.06 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.528 1.142 . . . . 0.0 111.051 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.76 107.85 4.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 0.732 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.837 ' O ' HG22 ' A' ' 92' ' ' VAL . 13.0 m-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.532 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 2.4 mttt -58.98 -23.05 61.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 94' ' ' ARG . 7.0 mp -77.92 -49.53 14.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -54.67 -54.42 41.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 88' ' ' ASP . 2.6 m -55.12 -42.18 63.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.53 -36.92 77.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' LEU . 9.7 mmt180 -66.82 -39.4 87.68 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.617 1.198 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -83.15 -28.92 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 110.443 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 40.1 t80 -77.53 -34.31 53.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -66.42 -44.74 82.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -56.36 -37.29 69.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.752 ' CE1' HD22 ' A' ' 103' ' ' LEU . 25.7 t80 -69.08 -41.01 78.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.408 1.068 . . . . 0.0 111.029 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.813 HD12 HG21 ' A' ' 78' ' ' VAL . 22.5 mm -73.86 -43.06 53.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.8 OUTLIER -56.32 -32.54 64.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.95 -27.81 26.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.368 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.752 HD22 ' CE1' ' A' ' 99' ' ' PHE . 2.9 mp -83.79 -17.39 41.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.78 HG22 HD11 ' A' ' 76' ' ' ILE . 77.2 p -109.94 -40.91 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.427 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.587 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 87.47 -18.03 40.31 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.577 1.173 . . . . 0.0 111.056 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.545 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 4.0 m-85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.457 0.739 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.473 ' CG ' ' HB2' ' A' ' 79' ' ' ASN . 1.9 ttm . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.503 0.192 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -117.54 158.7 24.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -139.08 119.83 14.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.357 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.49 ' CE2' HG21 ' A' ' 100' ' ' ILE . 38.9 m-85 -124.39 143.02 41.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.563 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.5 Cg_endo -74.85 170.66 19.88 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.807 . . . . 0.0 111.021 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.568 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.5 t -124.25 128.74 74.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.417 1.073 . . . . 0.0 109.288 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.595 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -71.75 147.07 47.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -66.17 103.81 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.393 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.36 -37.27 3.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 1.1 m-85 -49.29 159.76 0.6 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 111.051 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 126.74 10.19 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 34' ' ' THR . 5.5 t -136.5 33.81 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.41 152.5 47.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.576 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 18.3 m-85 -51.75 -54.76 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' NE ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -59.28 -51.89 68.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -52.76 33.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.671 HG22 HD11 ' A' ' 43' ' ' ILE . 63.5 mt -65.76 -42.21 91.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.855 ' HG2' HG21 ' A' ' 50' ' ' VAL . 7.5 mttp -51.96 -50.37 61.37 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.439 ' NE ' ' OD1' ' A' ' 37' ' ' ASP . 1.2 mpt_? -66.11 -34.02 77.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.372 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -67.09 -41.42 86.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.227 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.879 ' HA ' HD23 ' A' ' 46' ' ' LEU . 17.8 mt -59.73 -53.73 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.394 1.059 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.1 t -67.21 -39.24 86.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.045 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -26.98 61.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.246 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.016 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -86.48 -26.27 24.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.82 30.37 2.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 1.016 ' CE2' HD11 ' A' ' 46' ' ' LEU . 13.1 m-30 -119.16 174.91 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 111.075 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.16 162.42 15.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.372 1.045 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.855 HG21 ' HG2' ' A' ' 40' ' ' LYS . 2.5 p -141.29 128.14 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -109.35 144.19 37.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.39 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.1 p -103.5 103.7 13.69 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.465 1.103 . . . . 0.0 109.976 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.22 93.88 5.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.05 -102.97 0.91 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.416 ' C ' HD23 ' A' ' 56' ' ' LEU . 5.0 m-20 -118.62 -3.84 10.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.8 . . . . 0.0 109.396 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.547 HD13 ' HE3' ' A' ' 70' ' ' LYS . 3.7 mt -95.0 159.91 14.81 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.642 HD11 ' HG3' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -110.71 141.4 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 5.9 mm -124.0 142.18 41.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.22 146.12 36.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.117 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.69 102.02 9.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.074 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.928 HD11 HD13 ' A' ' 64' ' ' ILE . 12.0 pt -124.32 151.81 66.95 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 133.9 17.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.568 1.825 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.3 -25.97 26.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.571 1.169 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.928 HD13 HD11 ' A' ' 61' ' ' ILE . 2.7 mp -107.87 150.0 10.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.513 0.773 . . . . 0.0 109.269 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.7 t -81.94 -62.72 1.55 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.4 1.062 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 -155.48 146.89 22.84 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.491 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -139.64 150.31 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.713 ' C ' HD12 ' A' ' 69' ' ' ILE . 4.5 mt-10 -111.67 135.97 51.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.86 HG13 HG13 ' A' ' 78' ' ' VAL . 2.6 mp -129.89 144.44 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.547 ' HE3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -141.37 92.28 8.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.366 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -74.98 131.98 14.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.21 154.77 47.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -52.7 -40.62 63.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.4 1.062 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.99 -74.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.365 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.85 -168.4 2.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.824 HD11 HG22 ' A' ' 104' ' ' THR . 9.5 pt -130.68 163.27 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.618 1.199 . . . . 0.0 109.258 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.82 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -145.91 153.5 40.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.86 HG13 HG13 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -132.82 147.83 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.473 ' HB2' ' CG ' ' A' ' 23' ' ' MET . 27.7 t30 -135.84 124.97 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.2 p -112.2 -177.92 3.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -125.97 -117.28 2.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.587 1.179 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.89 123.8 48.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.457 ' CD2' HG21 ' A' ' 92' ' ' VAL . 2.6 m-30 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 91' ' ' ALA . 6.2 m-20 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.518 ' HA ' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -48.89 -26.22 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.404 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.25 -38.26 51.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 109.354 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -68.76 -52.57 29.08 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.445 1.09 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.518 HG22 ' HA ' ' A' ' 89' ' ' LYS . 34.4 m -53.52 -47.94 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.447 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 2.2 t -65.02 -33.03 60.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.472 ' HA ' ' ND2' ' A' ' 97' ' ' ASN . 0.2 OUTLIER -67.86 -37.62 82.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.267 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 m -86.59 -30.14 22.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.17 . . . . 0.0 110.358 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.413 ' O ' ' HB3' ' A' ' 99' ' ' PHE . 17.2 t80 -75.7 -55.31 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.541 ' C ' ' OD1' ' A' ' 97' ' ' ASN . 1.3 p30 -56.37 -31.84 64.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.2 OUTLIER -65.52 -40.39 92.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.77 ' CE1' HD22 ' A' ' 103' ' ' LEU . 1.9 t80 -66.98 -32.54 73.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 104' ' ' THR . 29.2 mm -81.34 -36.98 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.3 tt0 -54.79 -33.26 61.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -86.31 -24.93 25.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.77 HD22 ' CE1' ' A' ' 99' ' ' PHE . 1.6 mp -81.95 -20.03 39.46 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.65 1.218 . . . . 0.0 109.28 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.824 HG22 HD11 ' A' ' 76' ' ' ILE . 70.0 p -112.34 -49.21 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.338 1.024 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.592 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 94.28 -20.21 49.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.563 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 6.7 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.54 0.21 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -101.36 134.8 43.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -105.05 121.37 43.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.715 ' CD2' HG21 ' A' ' 100' ' ' ILE . 34.2 m-85 -115.56 149.79 43.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.446 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.07 172.06 17.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.62 1.853 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.84 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.4 t -121.95 149.32 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -98.42 146.43 25.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.226 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -69.67 118.16 12.19 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.418 1.074 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.88 -41.58 2.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 3.6 m-85 -48.1 161.5 0.37 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 111.071 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.42 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.0 Cg_endo -74.97 128.3 11.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.0 p -123.95 24.39 8.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.43 144.76 50.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.58 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 9.8 m-85 -46.9 -55.94 7.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.9 -52.25 66.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.42 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -51.46 -52.37 47.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 110.011 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.873 HG23 HD11 ' A' ' 103' ' ' LEU . 6.8 mt -64.82 -37.8 81.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.716 ' HG2' HG11 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -52.93 -37.5 60.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.3 mpt_? -76.22 -36.45 58.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.355 1.034 . . . . 0.0 110.259 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -33.35 75.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 109.391 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.839 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.4 mt -70.2 -53.61 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.9 t -69.29 -26.67 64.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.8 mm-40 -67.38 -30.12 69.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 110.36 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.07 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -81.68 -24.5 36.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.68 32.19 2.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.337 1.023 . . . . 0.0 111.034 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 1.07 ' CE2' HD11 ' A' ' 46' ' ' LEU . 11.8 m-30 -119.14 179.0 4.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 110.984 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.4 OUTLIER -122.01 162.47 21.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.716 HG11 ' HG2' ' A' ' 40' ' ' LYS . 2.6 p -139.37 138.85 39.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -114.32 144.79 42.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.0 115.82 30.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' CD ' ' NH1' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -121.61 91.79 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.86 -105.33 1.52 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 111.105 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -119.64 -1.49 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 56' ' ' LEU . 6.2 mt -95.22 155.85 16.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.614 HD11 ' HG3' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -105.85 133.56 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.361 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 50' ' ' VAL . 21.1 mm -117.58 128.05 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.45 145.49 26.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -111.87 95.7 5.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.87 HD11 HD13 ' A' ' 64' ' ' ILE . 19.3 pt -119.38 157.04 52.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 133.5 16.59 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.594 1.839 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.07 -25.65 27.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.87 HD13 HD11 ' A' ' 61' ' ' ILE . 3.4 mp -108.47 149.94 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.498 0.763 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.5 t -90.79 -55.55 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.006 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.437 ' NH1' ' CD ' ' A' ' 53' ' ' GLU . 28.0 mtt180 -156.68 141.76 17.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.832 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -142.78 153.77 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.393 1.058 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.583 ' C ' HD12 ' A' ' 69' ' ' ILE . 8.9 mt-10 -111.47 135.66 51.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.806 HG13 HG13 ' A' ' 78' ' ' VAL . 2.3 mp -125.14 145.01 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -141.24 94.99 7.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.56 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.0 Cg_endo -75.11 127.99 11.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.97 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.42 156.6 43.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -56.73 -43.04 80.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -71.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.45 -173.46 4.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.84 HG23 ' CG2' ' A' ' 28' ' ' VAL . 4.7 pt -126.07 160.38 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.831 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -141.86 154.44 45.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.806 HG13 HG13 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -132.76 147.42 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -133.69 120.61 20.84 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.442 ' HA ' HG22 ' A' ' 67' ' ' ILE . 20.9 p -91.97 124.55 36.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.376 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.2 -65.59 1.03 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -135.02 149.43 50.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.477 ' CE2' HG23 ' A' ' 92' ' ' VAL . 1.7 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 91' ' ' ALA . 29.9 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.945 ' O ' HG23 ' A' ' 93' ' ' VAL . 9.6 pttp -48.14 -31.03 5.12 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 tp -77.05 -32.48 56.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -75.74 -49.24 18.78 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' ' 89' ' ' LYS . 10.8 m -60.22 -30.02 45.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.3 t -51.09 -36.87 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -28.53 69.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.4 m -86.57 -35.17 19.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.689 ' HB2' HD11 ' A' ' 64' ' ' ILE . 59.6 t80 -60.27 -45.76 92.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.41 -35.92 76.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -55.44 -39.99 70.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.441 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 6.9 t80 -64.14 -53.09 55.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.715 HG21 ' CD2' ' A' ' 26' ' ' TYR . 29.4 mm -61.71 -32.7 54.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.5 OUTLIER -55.95 -46.16 78.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -83.67 -22.42 32.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.873 HD11 HG23 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -72.2 -44.82 62.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.228 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.676 ' CG2' HD11 ' A' ' 76' ' ' ILE . 46.3 p -96.99 -39.89 9.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.447 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.587 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 93.68 -2.03 69.5 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.448 1.093 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.446 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 4.5 m-85 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.465 0.744 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.2 ttm . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.523 0.201 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.9 128.16 53.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.22 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -91.45 125.47 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.424 ' CG ' HG21 ' A' ' 100' ' ' ILE . 74.8 m-85 -112.25 150.4 42.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.45 ' O ' HG22 ' A' ' 104' ' ' THR . 18.4 Cg_endo -75.06 168.53 24.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.57 1.826 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 75' ' ' LYS . 7.3 p -134.63 139.22 48.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -81.73 146.32 30.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.27 127.4 32.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.82 -39.6 2.7 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.543 1.152 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.709 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 2.6 m-85 -47.91 165.5 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.597 0.822 . . . . 0.0 111.019 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 132.25 15.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.425 1.75 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.5 p -135.01 31.0 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.075 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.22 148.71 43.33 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.546 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 12.3 m-85 -52.03 -53.08 46.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.414 ' O ' ' CD ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -63.27 -50.93 68.19 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.383 1.052 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 m -49.42 -52.31 29.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.627 HG22 HD11 ' A' ' 43' ' ' ILE . 66.9 mt -69.8 -36.1 68.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.37 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.527 ' CG ' HG11 ' A' ' 50' ' ' VAL . 9.2 ttmt -53.23 -37.17 61.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.414 ' CD ' ' O ' ' A' ' 37' ' ' ASP . 1.8 mpt_? -77.08 -35.8 56.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -38.97 91.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.939 ' HA ' HD23 ' A' ' 46' ' ' LEU . 14.4 mt -62.18 -51.16 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.53 -35.15 72.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' ARG . 1.4 mt-10 -65.88 -21.13 66.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.064 HD21 ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -88.13 -25.05 23.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.337 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.51 26.01 4.11 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 1.064 ' CD2' HD21 ' A' ' 46' ' ' LEU . 16.0 m-30 -117.91 179.73 4.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 0.719 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.06 162.23 18.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.527 HG11 ' CG ' ' A' ' 40' ' ' LYS . 1.7 p -141.47 126.89 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -113.3 144.34 42.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -102.71 110.11 21.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.96 90.21 3.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.48 -109.77 2.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.047 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.532 ' C ' HD23 ' A' ' 56' ' ' LEU . 63.1 m-20 -115.17 -2.71 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.538 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -97.54 160.61 14.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.546 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.3 tt -109.98 137.5 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.44 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 20.6 mm -116.69 131.72 68.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.598 1.186 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.15 144.32 29.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.82 102.21 9.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.057 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.049 HD11 HD12 ' A' ' 64' ' ' ILE . 8.2 pt -126.24 153.14 74.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.182 . . . . 0.0 109.176 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 135.19 18.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.66 -24.63 31.42 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.478 1.111 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 1.049 HD12 HD11 ' A' ' 61' ' ' ILE . 9.9 mt -106.91 160.94 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.503 0.767 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.408 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -95.63 -62.87 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.428 ' HD3' HG21 ' A' ' 58' ' ' ILE . 15.2 mtt180 -155.26 140.31 17.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 110.29 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.486 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -142.05 147.42 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.525 ' C ' HD13 ' A' ' 69' ' ' ILE . 8.4 mt-10 -104.73 136.01 45.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.525 HD13 ' C ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -117.1 142.22 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.478 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -139.84 89.15 11.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 134.25 17.48 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.71 150.22 41.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.244 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 13.3 mptt -57.73 -37.28 73.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -68.65 -64.54 0.85 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.646 1.216 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.696 ' HE2' HD12 ' A' ' 77' ' ' LEU . 1.5 pptp? -154.12 -166.08 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.228 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.832 ' C ' HD13 ' A' ' 77' ' ' LEU . 2.7 pt -138.91 158.56 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.832 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -148.37 152.11 36.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.36 1.037 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 100' ' ' ILE . 4.1 t -130.9 149.52 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -124.06 120.64 33.0 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.0 p -109.69 146.07 35.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.444 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.84 -87.93 1.63 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -144.29 106.45 4.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 0.795 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.566 ' OH ' HD11 ' A' ' 64' ' ' ILE . 3.2 m-30 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.703 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 82.7 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 1.001 ' O ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -61.43 -28.49 69.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.385 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' A' ' 93' ' ' VAL . 5.2 tp -76.99 -30.69 56.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.703 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -76.99 -52.15 9.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 89' ' ' LYS . 31.4 m -54.63 -30.08 21.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 89' ' ' LYS . 4.4 t -50.97 -34.29 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -73.72 -28.57 61.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -85.11 -33.09 22.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -78.69 -32.91 47.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -71.49 -46.35 60.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -53.16 -36.26 60.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.65 ' CE1' HD22 ' A' ' 103' ' ' LEU . 17.5 t80 -65.43 -48.05 74.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 104' ' ' THR . 29.5 mm -69.67 -50.27 51.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 109.25 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 106' ' ' TYR . 21.8 tt0 -48.6 -31.23 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.294 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -85.32 -27.95 25.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.65 HD22 ' CE1' ' A' ' 99' ' ' PHE . 4.0 mp -86.13 -11.41 52.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 100' ' ' ILE . 17.1 p -103.63 -30.09 10.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.496 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.709 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 78.42 5.93 87.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.592 1.182 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.46 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 6.7 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.1 tmm? . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.512 0.196 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.62 151.95 27.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.642 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 25.8 mt-10 -121.23 165.29 15.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.642 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 47.5 m-85 -162.28 143.9 8.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.0 162.29 37.36 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.384 1.728 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.56 HG21 ' CG2' ' A' ' 34' ' ' THR . 13.4 p -117.22 139.37 44.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -85.16 144.89 27.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.226 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -67.81 98.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 129.03 -43.45 1.31 Allowed Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.689 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 3.0 m-85 -44.17 160.33 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.423 0.719 . . . . 0.0 111.035 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.414 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.4 Cg_endo -74.96 139.03 23.91 Favored 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.406 1.74 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.56 ' CG2' HG21 ' A' ' 28' ' ' VAL . 25.8 p -136.57 31.87 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.6 142.97 51.37 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.527 1.142 . . . . 0.0 109.211 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.583 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.9 m-85 -47.49 -54.74 10.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.425 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -59.19 -48.94 79.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.22 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 35.8 m -53.13 -53.2 54.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.959 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.771 HG22 HD11 ' A' ' 43' ' ' ILE . 16.5 mt -65.75 -41.44 90.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.632 ' HA ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -50.29 -46.47 55.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' GLU . 9.7 mpt_? -71.58 -36.49 70.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -64.15 -34.22 77.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.771 HD11 HG22 ' A' ' 39' ' ' ILE . 11.9 mt -68.54 -53.51 27.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.6 t -68.97 -29.2 67.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -63.24 -21.64 66.36 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.565 1.165 . . . . 0.0 110.232 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.085 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -93.61 -24.49 17.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.21 34.29 1.82 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 1.085 ' CE2' HD11 ' A' ' 46' ' ' LEU . 10.6 m-30 -119.75 170.47 9.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.554 0.796 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.1 162.36 14.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 58' ' ' ILE . 2.4 p -142.31 133.87 25.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.228 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -111.3 144.55 40.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.6 m -112.23 98.26 7.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.494 ' CD ' HD11 ' A' ' 58' ' ' ILE . 5.5 pt-20 -100.34 90.26 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.04 -104.0 2.18 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.507 ' C ' HD23 ' A' ' 56' ' ' LEU . 83.1 m-20 -121.95 1.19 9.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.513 ' N ' HD23 ' A' ' 56' ' ' LEU . 4.3 mt -97.53 154.47 17.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.583 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -109.06 139.04 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 50' ' ' VAL . 7.1 mm -122.46 138.2 53.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -102.92 139.88 37.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.22 96.08 6.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.783 ' CD1' HD13 ' A' ' 64' ' ' ILE . 15.2 pt -120.81 152.96 56.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.407 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 135.44 19.32 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.464 1.771 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.83 -26.08 25.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.783 HD13 ' CD1' ' A' ' 61' ' ' ILE . 3.7 mp -108.11 148.28 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.776 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.8 t -82.55 -62.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.071 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -155.0 140.5 17.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.611 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.08 148.41 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 6.8 mt-10 -104.75 137.43 42.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.234 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.559 HD13 HG13 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -120.1 140.4 44.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -139.91 91.45 10.33 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.571 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -75.01 131.45 14.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.552 1.817 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.64 150.89 49.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -57.19 -42.33 81.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -67.5 -62.64 1.32 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.113 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.857 ' HE3' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -153.2 -166.17 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.882 HD11 HG22 ' A' ' 104' ' ' THR . 0.8 OUTLIER -140.16 155.78 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.857 HD12 ' HE3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -141.03 155.38 46.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.559 HG13 HD13 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -132.96 145.97 33.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -123.31 127.77 49.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.0 p -113.18 143.57 44.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.614 1.196 . . . . 0.0 110.445 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.35 -90.64 1.02 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 110.945 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -143.71 113.53 7.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 0.741 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.479 ' OH ' ' CD1' ' A' ' 96' ' ' TYR . 2.8 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.454 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.876 ' O ' HG23 ' A' ' 93' ' ' VAL . 2.4 mttt -50.69 -30.1 12.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.68 -32.64 60.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -68.68 -52.06 35.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.103 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 89' ' ' LYS . 15.2 m -62.86 -31.91 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.364 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.3 t -53.4 -36.79 27.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -66.79 -29.37 69.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.438 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 3.2 m -86.22 -32.57 21.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.562 ' HB2' HD11 ' A' ' 64' ' ' ILE . 50.3 t80 -69.01 -43.48 74.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.626 1.204 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -39.32 77.21 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.442 1.088 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -38.38 59.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 10.3 t80 -76.37 -53.43 8.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 104' ' ' THR . 40.1 mm -56.03 -35.57 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.2 mm-40 -54.49 -47.26 73.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.23 -15.85 45.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.079 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.64 HD11 HG23 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -82.56 -26.89 31.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.882 HG22 HD11 ' A' ' 76' ' ' ILE . 64.8 p -111.14 -47.67 3.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.461 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.689 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 111.51 -27.8 10.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.135 . . . . 0.0 111.078 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 30.2 m-85 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 111.066 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.417 0.151 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.58 131.96 53.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.351 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -117.24 120.92 39.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.546 1.154 . . . . 0.0 110.365 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 1.029 ' CD2' HG21 ' A' ' 100' ' ' ILE . 56.8 m-85 -114.67 150.51 44.09 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.185 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 174.37 12.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.7 ' CG2' HG23 ' A' ' 76' ' ' ILE . 3.4 t -126.01 134.3 66.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.192 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.539 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -81.11 145.79 30.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -69.85 104.48 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 109.265 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 121.62 -45.59 1.2 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.121 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.58 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 3.5 m-85 -42.55 159.34 0.2 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 140.34 25.41 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.485 1.781 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.1 p -140.61 32.06 1.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.368 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.57 146.99 45.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.234 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.572 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.0 m-85 -51.15 -52.18 46.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -50.41 73.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 m -50.04 -52.8 31.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.95 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.901 HG22 HD11 ' A' ' 43' ' ' ILE . 98.3 mt -64.81 -40.89 90.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.629 ' HG2' HG11 ' A' ' 50' ' ' VAL . 1.6 mtpp -51.66 -40.47 60.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.4 mpt_? -75.02 -39.66 61.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.408 1.067 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -33.43 75.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.91 ' HA ' HD23 ' A' ' 46' ' ' LEU . 20.6 mt -69.04 -53.69 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.4 t -69.54 -25.39 64.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.078 . . . . 0.0 109.947 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 2.0 mm-40 -73.74 -23.91 59.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.91 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -89.88 -22.8 21.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.33 24.91 4.58 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.881 ' CD2' HD21 ' A' ' 46' ' ' LEU . 10.7 m-30 -112.89 177.65 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.386 0.698 . . . . 0.0 111.004 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.28 161.76 21.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.629 HG11 ' HG2' ' A' ' 40' ' ' LYS . 2.4 p -140.21 134.04 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -116.09 144.94 43.47 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.552 1.158 . . . . 0.0 109.365 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.8 m -105.54 98.82 8.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.039 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -102.51 90.5 3.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 110.194 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.52 -109.93 2.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.578 1.173 . . . . 0.0 111.01 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.544 ' C ' HD23 ' A' ' 56' ' ' LEU . 2.4 m-20 -115.31 -3.68 12.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.791 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.58 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -96.73 158.0 15.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.443 1.09 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.572 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -107.62 139.06 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 27.5 mm -118.18 131.88 69.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' HB3' HG12 ' A' ' 67' ' ' ILE . . . -99.64 144.35 28.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.34 101.48 8.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.828 HD11 HD13 ' A' ' 64' ' ' ILE . 7.1 pt -122.54 154.64 63.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 139.46 24.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.98 -25.65 20.73 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.828 HD13 HD11 ' A' ' 61' ' ' ILE . 2.4 mp -107.69 145.32 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 0.795 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 m -77.28 -62.47 1.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 109.892 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.05 142.13 19.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.429 1.081 . . . . 0.0 110.363 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.673 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.4 153.35 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 8.0 mt-10 -109.91 137.4 47.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.572 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -121.62 135.82 60.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 1.1 mppt? -134.67 90.12 24.14 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.249 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.515 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -74.97 140.99 26.18 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.26 148.18 37.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.6 mttt -52.37 -36.83 54.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.509 ' CZ ' ' HA ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -71.19 -68.83 0.41 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.554 ' NZ ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -148.92 -166.75 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.914 HD11 HG22 ' A' ' 104' ' ' THR . 9.6 pt -135.02 164.25 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.86 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -148.87 153.62 38.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.27 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.442 HG13 HD13 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -132.86 147.81 31.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -130.99 116.32 17.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.466 ' CG2' ' CZ ' ' A' ' 96' ' ' TYR . 61.3 p -96.72 152.42 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -104.77 -113.64 3.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.24 137.35 43.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.561 ' CD2' HG21 ' A' ' 92' ' ' VAL . 4.4 m-30 -105.19 159.28 15.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -68.3 105.16 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.9 m -54.62 -26.02 30.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.9 -30.66 65.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.58 134.01 37.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -53.5 106.28 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.536 ' HA ' HG22 ' A' ' 92' ' ' VAL . 25.7 mttt -51.18 -27.85 9.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -31.04 58.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -73.79 -52.26 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.561 HG21 ' CD2' ' A' ' 83' ' ' TYR . 26.2 m -58.18 -24.6 24.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.333 1.02 . . . . 0.0 109.221 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.97 -37.28 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.511 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -64.47 -30.2 71.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.4 1.062 . . . . 0.0 110.346 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.451 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 16.3 m -87.45 -30.43 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.426 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.466 ' CZ ' ' CG2' ' A' ' 80' ' ' THR . 57.0 t80 -74.78 -38.55 62.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -72.76 -47.04 50.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 0.0 109.385 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -53.66 -37.58 63.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -60.84 -50.83 71.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.585 1.178 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 1.029 HG21 ' CD2' ' A' ' 26' ' ' TYR . 19.3 mm -72.35 -35.44 52.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -40.45 63.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 110.308 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -84.82 -23.03 29.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.611 HD21 HG23 ' A' ' 39' ' ' ILE . 1.5 tp -81.69 -12.86 58.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.914 HG22 HD11 ' A' ' 76' ' ' ILE . 81.1 p -117.41 -41.66 2.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 110.418 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.58 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 104.54 -38.62 3.18 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.437 1.086 . . . . 0.0 111.045 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -59.35 147.63 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.441 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 99.5 p -110.76 163.59 13.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 110.063 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.45 -34.0 73.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -61.95 -26.21 68.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 107' ' ' SER . 0.7 OUTLIER -67.1 -31.65 72.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.243 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.427 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 27.1 mtp180 -49.44 -33.97 15.42 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.55 -42.99 71.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.609 1.193 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -50.1 -39.18 41.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.215 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 9.8 mmt -68.38 -49.56 59.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.056 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -34.99 79.48 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.563 1.164 . . . . 0.0 110.953 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 29.9 m -89.46 95.63 10.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.38 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -88.26 -52.05 5.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.456 ' HG3' ' CB ' ' A' ' 79' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.574 0.226 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -97.56 149.81 21.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 110.279 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -120.5 123.51 43.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.482 ' CD2' HG23 ' A' ' 78' ' ' VAL . 24.6 m-85 -119.14 143.9 35.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.27 29.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.45 129.64 75.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.562 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.5 OUTLIER -73.53 146.66 44.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 109.245 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 2.2 pttt -70.29 117.55 11.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.59 -41.38 2.23 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.429 1.081 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 3.4 m-85 -46.14 165.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.795 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 130.34 13.17 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.765 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.6 p -133.92 28.81 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.404 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.25 142.72 48.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.569 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 7.3 m-85 -49.34 -55.26 13.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -47.77 84.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.401 1.063 . . . . 0.0 109.23 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -52.77 31.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.867 HG22 HD11 ' A' ' 43' ' ' ILE . 9.2 mt -63.61 -41.71 93.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HG2' HG21 ' A' ' 50' ' ' VAL . 9.2 mttt -50.31 -38.74 43.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLU . 10.4 mpt_? -73.54 -41.45 62.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.073 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -38.73 92.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.867 HD11 HG22 ' A' ' 39' ' ' ILE . 20.4 mt -66.13 -55.5 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.5 t -66.06 -24.24 66.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -69.14 -39.49 78.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.798 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -77.36 -25.19 50.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.67 34.08 1.78 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.759 ' CD2' HG22 ' A' ' 61' ' ' ILE . 6.7 m-30 -115.12 160.7 19.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.85 157.38 17.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 58' ' ' ILE . 2.9 p -140.22 134.74 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.155 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -115.58 146.71 41.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.7 p -99.97 110.83 23.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.466 ' HB2' ' CG1' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -110.82 93.62 4.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.259 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.26 -103.34 0.92 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.493 ' C ' HD23 ' A' ' 56' ' ' LEU . 73.3 m-20 -118.86 -3.3 10.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.365 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.552 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.2 mt -95.68 159.9 14.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.386 1.054 . . . . 0.0 109.22 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.497 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -106.3 137.64 35.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.214 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 50' ' ' VAL . 16.2 mm -116.63 129.54 72.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.378 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.33 137.65 43.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 t -109.18 105.75 15.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.759 HG22 ' CD2' ' A' ' 48' ' ' PHE . 6.9 pt -122.61 153.89 63.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.23 16.33 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.588 1.836 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.511 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 100.1 -25.27 28.91 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.837 HG21 HD12 ' A' ' 67' ' ' ILE . 2.7 mp -107.35 149.69 10.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.495 0.762 . . . . 0.0 109.237 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.3 t -82.74 -62.28 1.65 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 110.041 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -154.99 140.55 17.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.837 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -141.22 149.64 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.648 ' C ' HD12 ' A' ' 69' ' ' ILE . 7.1 mt-10 -114.16 135.89 53.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.76 HG13 HG13 ' A' ' 78' ' ' VAL . 2.5 mp -121.12 144.46 30.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.448 1.092 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.457 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.59 90.32 14.84 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.367 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.1 Cg_endo -75.03 125.81 9.54 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.2 152.18 43.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -28.75 59.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -62.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.86 ' HE3' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -152.14 -166.0 2.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.909 ' C ' HD13 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -140.96 164.51 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.909 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -147.6 153.78 39.83 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.76 HG13 HG13 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -132.96 146.51 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.456 ' CB ' ' HG3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -131.99 125.84 32.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 80.9 p -107.15 142.73 36.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.35 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.53 -83.33 0.8 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -146.18 109.7 4.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -67.57 154.85 40.49 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.536 1.147 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.02 107.25 4.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.6 p -55.2 -40.89 71.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 110.044 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.16 -47.85 71.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.39 132.57 42.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.3 m-20 -52.26 105.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.381 1.051 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.624 ' HA ' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -50.74 -27.07 6.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -75.64 -33.19 60.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 109.373 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -74.06 -51.6 15.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.186 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.624 HG22 ' HA ' ' A' ' 89' ' ' LYS . 29.5 m -60.81 -33.5 55.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 89' ' ' LYS . 3.3 t -69.29 -38.11 76.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.632 1.207 . . . . 0.0 109.321 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -63.34 -30.81 71.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.3 m -86.06 -30.98 22.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.103 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -75.33 -39.34 59.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.16 -46.35 64.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -58.33 -34.19 70.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.459 ' CE2' HD22 ' A' ' 103' ' ' LEU . 59.6 t80 -68.09 -42.94 79.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.397 1.06 . . . . 0.0 111.055 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 103' ' ' LEU . 21.0 mm -75.26 -50.39 24.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.47 ' O ' ' CA ' ' A' ' 105' ' ' GLY . 5.9 tt0 -46.97 -32.19 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.65 -29.16 21.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.459 HD22 ' CE2' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -75.0 -35.9 62.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.432 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 2.8 p -100.99 -40.25 7.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.382 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.528 ' HA3' ' CZ ' ' A' ' 32' ' ' PHE . . . 103.6 -34.0 6.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.097 . . . . 0.0 111.014 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -61.07 144.95 52.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 0.772 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -110.09 163.06 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.92 -33.07 70.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.126 . . . . 0.0 109.225 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.47 -31.68 72.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 107' ' ' SER . 0.6 OUTLIER -59.9 -32.0 70.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.192 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.538 ' HG2' ' HE2' ' A' ' 114' ' ' MET . 0.4 OUTLIER -49.96 -32.05 14.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -55.97 -44.68 78.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -43.36 -54.27 4.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.538 ' HE2' ' HG2' ' A' ' 111' ' ' ARG . 2.0 ptt? -75.99 -21.36 57.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 111.03 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.423 ' N ' ' HG3' ' A' ' 114' ' ' MET . 0.3 OUTLIER -88.71 7.31 34.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.559 1.162 . . . . 0.0 111.052 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.5 m -96.16 -42.32 8.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.733 ' O ' ' OXT' ' A' ' 118' ' ' ASP . 9.8 ttpt -60.99 -56.8 16.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.733 ' OXT' ' O ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.5 ttm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.489 0.185 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.11 127.43 53.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 1.073 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -90.17 131.82 35.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.625 1.203 . . . . 0.0 110.344 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.506 ' CD2' HG21 ' A' ' 100' ' ' ILE . 29.7 m-85 -114.24 147.57 38.2 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 26' ' ' TYR . 18.3 Cg_endo -75.01 167.06 27.87 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.84 ' CG2' HG23 ' A' ' 76' ' ' ILE . 10.5 t -123.26 135.4 63.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -75.82 146.82 39.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 5.3 mptt -71.22 105.8 3.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.7 -44.87 1.26 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.364 1.04 . . . . 0.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 104' ' ' THR . 3.6 m-85 -43.18 159.93 0.21 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 142.78 28.39 Favored 'Trans proline' 0 C--N 1.362 1.26 0 O-C-N 124.466 1.772 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.7 p -136.57 29.3 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -117.33 148.24 41.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.607 1.192 . . . . 0.0 109.224 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.561 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 5.9 m-85 -52.89 -51.0 62.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -52.91 62.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.6 m -49.77 -52.65 30.28 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.436 1.085 . . . . 0.0 110.123 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.625 HG23 HD11 ' A' ' 103' ' ' LEU . 40.3 mt -64.56 -40.28 88.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.768 ' HG2' HG21 ' A' ' 50' ' ' VAL . 14.9 mtpt -51.98 -38.06 55.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 45' ' ' GLU . 2.6 mpt_? -76.58 -38.4 54.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.228 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -30.92 71.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.782 ' HA ' HD23 ' A' ' 46' ' ' LEU . 38.2 mt -70.72 -54.93 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -67.96 -31.11 70.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.956 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -61.44 -25.19 67.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.048 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.34 -23.97 22.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.268 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.59 32.05 2.21 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.412 1.07 . . . . 0.0 111.026 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 1.048 ' CE2' HD11 ' A' ' 46' ' ' LEU . 11.6 m-30 -118.74 176.6 5.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.74 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.58 162.08 18.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.768 HG21 ' HG2' ' A' ' 40' ' ' LYS . 1.7 p -138.69 132.1 39.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -112.95 144.31 42.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -107.81 99.26 8.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -102.61 92.1 4.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.28 -110.62 3.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.158 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.476 ' C ' HD23 ' A' ' 56' ' ' LEU . 20.8 m-20 -115.94 -4.3 12.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.537 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -95.14 159.71 14.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.642 HD11 ' HG3' ' A' ' 40' ' ' LYS . 1.1 tt -107.81 138.46 34.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 26.7 mm -119.09 137.52 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.84 144.74 31.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.48 100.37 8.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.874 HD11 HD13 ' A' ' 64' ' ' ILE . 13.7 pt -122.84 152.66 62.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 137.01 21.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.556 1.819 . . . . 0.0 111.053 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.54 -25.37 28.52 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.095 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.874 HD13 HD11 ' A' ' 61' ' ' ILE . 1.2 mp -107.43 161.78 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.368 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.47 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 26.3 t -94.23 -62.4 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.968 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.2 136.77 14.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -135.32 151.48 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.8 mt-10 -109.04 137.16 47.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.57 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -119.76 135.06 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 1.5 mppt? -131.74 89.28 39.84 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.466 ' HB3' ' CD1' ' A' ' 39' ' ' ILE . 18.4 Cg_endo -75.05 134.17 17.4 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.22 150.91 43.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -57.52 -42.64 83.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -66.38 0.56 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.45 178.85 9.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.334 1.022 . . . . 0.0 109.4 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.917 ' C ' HD13 ' A' ' 77' ' ' LEU . 4.8 pt -126.37 160.09 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.917 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -145.64 154.03 41.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 1.144 . . . . 0.0 109.214 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.49 HG13 HD13 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -133.22 148.18 31.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.455 1.097 . . . . 0.0 109.195 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -136.89 127.37 26.74 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.409 ' HA ' HG22 ' A' ' 67' ' ' ILE . 74.5 p -96.33 161.49 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.25 -70.92 0.68 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.451 1.094 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -137.2 136.04 37.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.805 . . . . 0.0 109.26 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -108.5 159.11 16.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.669 ' CG ' ' HB3' ' A' ' 87' ' ' ALA . 2.5 p30 -82.27 96.44 7.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -56.37 -38.77 71.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.69 -36.11 73.69 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.669 ' HB3' ' CG ' ' A' ' 84' ' ' ASP . . . -83.31 146.32 28.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.454 ' O ' HG22 ' A' ' 92' ' ' VAL . 8.3 m-20 -56.06 105.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -51.6 -29.4 17.29 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.571 1.169 . . . . 0.0 109.358 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -77.2 -30.05 54.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -72.98 -52.73 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.607 HG11 ' OD1' ' A' ' 84' ' ' ASP . 6.2 m -59.7 -37.59 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.24 -37.36 78.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.47 1.107 . . . . 0.0 109.265 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 90' ' ' LEU . 2.3 mmt180 -65.52 -31.17 72.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -86.23 -32.7 21.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -72.02 -35.39 69.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.4 1.063 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.91 -37.97 46.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -55.38 -37.69 67.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.7 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 6.7 t80 -63.53 -53.05 58.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.506 HG21 ' CD2' ' A' ' 26' ' ' TYR . 26.1 mm -60.23 -32.18 50.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.511 ' O ' ' CA ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -55.54 -43.33 75.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.208 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -22.43 22.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.222 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.7 ' CD2' ' CZ ' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -71.72 -41.63 68.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.598 ' CG2' HD11 ' A' ' 76' ' ' ILE . 66.7 p -105.7 -35.99 7.21 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.397 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 101' ' ' GLU . . . 109.87 -34.8 5.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.59 1.181 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -64.46 146.26 54.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -108.35 166.56 10.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.049 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.34 73.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -25.85 68.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 111' ' ' ARG . 0.4 OUTLIER -67.86 -30.72 70.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.43 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -48.31 -30.36 4.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.34 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 116' ' ' THR . 0.0 OUTLIER -51.33 -37.91 50.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.712 ' CE ' ' OXT' ' A' ' 118' ' ' ASP . 0.0 OUTLIER -57.85 -17.59 17.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -83.63 -57.93 3.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.412 1.07 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 5.2 ptp -75.87 -12.51 60.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 112' ' ' LYS . 45.0 m -137.47 104.94 5.5 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.522 1.139 . . . . 0.0 110.401 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.69 133.22 46.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.712 ' OXT' ' CE ' ' A' ' 113' ' ' LYS . 6.9 t70 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 78' ' ' VAL . 21.0 ttm . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.536 0.208 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.561 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -110.0 137.99 47.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 1.9 mt-10 -100.73 132.71 45.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.683 ' CD2' HG21 ' A' ' 100' ' ' ILE . 57.8 m-85 -125.35 146.81 55.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.527 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.5 Cg_endo -74.9 -170.1 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.554 1.818 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.507 HG21 ' CG2' ' A' ' 34' ' ' THR . 14.7 p -145.0 118.9 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.217 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -64.42 145.72 55.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -69.74 105.98 2.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.34 -43.53 1.46 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.586 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 3.1 m-85 -44.33 161.26 0.22 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.451 0.736 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.449 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.5 Cg_endo -74.99 127.01 10.34 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.506 1.793 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.507 ' CG2' HG21 ' A' ' 28' ' ' VAL . 6.4 p -132.89 31.88 3.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.363 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.53 152.15 42.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.22 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.459 ' HA ' HD12 ' A' ' 57' ' ' ILE . 7.2 m-85 -52.24 -55.58 20.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.43 ' CG ' ' N ' ' A' ' 38' ' ' SER . 6.6 p-10 -61.12 -50.44 73.21 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 5.0 m -49.82 -52.84 29.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.4 mt -69.76 -33.71 57.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.555 ' CG ' HG11 ' A' ' 50' ' ' VAL . 3.1 tttm -56.81 -38.79 73.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -74.6 -32.86 62.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -64.77 -47.35 78.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.879 ' HA ' HD23 ' A' ' 46' ' ' LEU . 31.6 mt -53.36 -53.28 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 p -67.79 -43.77 78.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.93 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -24.52 58.82 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.006 HD21 ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -88.64 -25.66 22.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.25 21.94 5.71 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 1.006 ' CD2' HD21 ' A' ' 46' ' ' LEU . 12.4 m-30 -112.79 175.2 5.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' CB ' ' HB3' ' A' ' 60' ' ' SER . 0.3 OUTLIER -114.91 156.54 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.555 HG11 ' CG ' ' A' ' 40' ' ' LYS . 2.4 p -139.0 130.07 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -112.82 144.48 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 m -99.13 97.94 9.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.123 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.06 95.05 8.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.263 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.21 -103.15 0.81 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.448 1.093 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.509 ' C ' HD23 ' A' ' 56' ' ' LEU . 4.5 m-20 -119.52 -1.92 10.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.546 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -96.27 164.32 12.71 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 69' ' ' ILE . 0.7 OUTLIER -109.67 140.67 27.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.454 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 32.4 mm -123.18 131.61 72.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.29 134.22 47.06 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 49' ' ' ASP . 8.1 t -108.74 104.39 13.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.946 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.927 HG22 ' CD2' ' A' ' 48' ' ' PHE . 9.0 pt -124.38 153.05 68.99 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.519 1.137 . . . . 0.0 109.37 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 133.03 16.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.45 1.763 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.06 -24.6 31.34 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.499 1.125 . . . . 0.0 111.066 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.824 HG21 HD12 ' A' ' 67' ' ' ILE . 2.3 mp -106.78 152.54 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.593 0.819 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.89 -62.62 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -155.29 138.43 15.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.824 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.5 148.8 24.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.214 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.722 ' C ' HD13 ' A' ' 69' ' ' ILE . 8.7 mt-10 -110.19 144.7 38.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.722 HD13 ' C ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -126.15 123.44 63.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.782 ' CB ' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -116.47 89.32 26.78 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.67 9.5 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.464 1.77 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 0.6 OUTLIER -130.99 145.32 52.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 43.0 pttt -55.09 -43.29 73.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.085 . . . . 0.0 109.224 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.424 ' HB3' ' CD ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -64.27 -62.83 1.36 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' CD ' ' HB3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -153.48 -173.01 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.832 HD11 HG22 ' A' ' 104' ' ' THR . 3.6 pt -130.99 158.18 43.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.804 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -141.05 155.05 46.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 24' ' ' ARG . 4.2 m -127.07 138.34 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.362 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -130.94 117.81 19.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.1 p -111.48 175.11 5.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -118.99 -87.1 1.09 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -140.36 135.17 31.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.61 ' OH ' ' CD1' ' A' ' 96' ' ' TYR . 3.4 m-85 -93.54 159.25 15.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -68.41 105.71 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.83 -37.43 66.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -55.58 -53.89 50.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.57 154.86 41.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.522 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 20.3 m-20 -72.86 98.52 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.616 ' HA ' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -54.16 -29.89 47.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.413 ' N ' ' HG2' ' A' ' 89' ' ' LYS . 3.1 tp -74.7 -32.47 62.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.522 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -74.92 -51.61 13.35 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 89' ' ' LYS . 21.7 m -61.19 -38.3 79.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 89' ' ' LYS . 1.6 t -51.57 -34.33 15.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.491 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -67.42 -30.24 69.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 2.1 m -86.83 -36.24 18.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.61 ' CD1' ' OH ' ' A' ' 83' ' ' TYR . 29.0 t80 -70.79 -32.22 69.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -77.1 -37.66 53.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -66.0 -37.23 85.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.649 ' CE1' HD22 ' A' ' 103' ' ' LEU . 6.1 t80 -62.03 -41.18 97.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.683 HG21 ' CD2' ' A' ' 26' ' ' TYR . 9.6 mm -77.04 -46.74 28.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -48.53 -32.89 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.193 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.43 -26.95 27.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.649 HD22 ' CE1' ' A' ' 99' ' ' PHE . 4.2 mp -83.22 -16.45 46.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.832 HG22 HD11 ' A' ' 76' ' ' ILE . 82.3 p -110.2 -44.18 3.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.586 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 80.4 5.1 89.98 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.544 1.153 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.527 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 7.9 m-85 -101.98 125.73 48.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.741 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.19 157.43 20.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.984 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.25 -23.79 57.22 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -50.7 50.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.369 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.504 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 15.4 pt-20 -78.46 -30.96 47.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.49 -46.72 57.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -44.62 82.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 31.7 mttt -44.07 -33.46 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.381 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 33.0 mmt -59.52 -57.61 12.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 0.0 111.058 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 7.7 ptm -78.65 -19.89 51.55 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.418 1.074 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 53.6 m -109.32 91.55 3.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.706 ' O ' ' OXT' ' A' ' 118' ' ' ASP . 22.4 mttp -57.54 161.73 3.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.706 ' OXT' ' O ' ' A' ' 117' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.252 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 78' ' ' VAL . 30.5 ttm . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.528 0.204 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.661 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -103.13 141.62 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.59 132.42 51.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.659 ' HB3' HG21 ' A' ' 104' ' ' THR . 70.6 m-85 -124.28 141.85 38.5 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.523 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 178.46 7.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG21 ' CG2' ' A' ' 34' ' ' THR . 12.3 p -130.21 139.38 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.596 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -86.99 145.79 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.255 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 16.6 tttt -66.84 108.74 2.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.46 -48.18 0.97 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.487 1.117 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.596 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 3.7 m-85 -40.39 160.46 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 127.2 10.52 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.801 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.477 ' CG2' HG21 ' A' ' 28' ' ' VAL . 30.1 p -128.29 22.33 6.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.54 143.8 41.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.562 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 10.8 m-85 -52.85 -53.41 49.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -46.83 88.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.6 m -52.52 -52.91 52.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.342 1.026 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.641 ' CG2' HD21 ' A' ' 103' ' ' LEU . 50.7 mt -63.83 -37.92 80.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.59 ' HG2' HG11 ' A' ' 50' ' ' VAL . 1.5 mtmm -51.8 -39.63 59.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.484 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.1 mpt_? -76.76 -35.44 57.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -64.14 -36.62 84.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.796 ' HA ' HD23 ' A' ' 46' ' ' LEU . 28.0 mt -66.88 -54.97 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.542 1.151 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -67.24 -27.21 67.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.1 mm-40 -67.71 -27.3 66.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.572 1.17 . . . . 0.0 110.4 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.796 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -90.16 -22.53 21.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 112.55 27.23 3.92 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.788 ' CZ ' HD11 ' A' ' 46' ' ' LEU . 8.6 m-30 -112.12 170.64 8.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.81 157.87 21.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 1.188 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.59 HG11 ' HG2' ' A' ' 40' ' ' LYS . 2.3 p -144.27 135.52 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 109.31 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -115.44 143.54 45.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.7 p -97.31 106.43 18.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.06 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.89 116.42 30.6 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 48.46 -108.77 0.42 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.587 1.18 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.534 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -117.35 -0.21 12.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.555 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.4 mt -97.69 158.98 15.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.742 HG22 ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -107.11 138.21 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.563 ' O ' HG23 ' A' ' 50' ' ' VAL . 39.0 mm -116.9 129.08 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.477 1.111 . . . . 0.0 109.372 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.485 ' HB3' HG12 ' A' ' 67' ' ' ILE . . . -107.11 142.23 37.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.16 113.85 22.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.068 HD11 HD12 ' A' ' 64' ' ' ILE . 6.6 pt -130.39 158.5 74.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 130.41 13.26 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.532 1.806 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.29 -26.12 25.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 1.068 HD12 HD11 ' A' ' 61' ' ' ILE . 22.0 mt -107.91 143.87 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.731 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.8 t -77.06 -61.46 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.03 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.07 144.2 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.253 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.628 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -137.67 153.29 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.487 ' C ' HD12 ' A' ' 69' ' ' ILE . 7.9 mt-10 -119.2 137.3 53.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.742 ' O ' HG22 ' A' ' 57' ' ' ILE . 4.6 mp -136.78 141.36 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.515 ' HE3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -132.97 99.65 14.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.548 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -75.06 128.54 11.51 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.482 1.78 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.7 154.22 47.37 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.56 1.162 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -58.54 -39.76 81.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -68.27 -67.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 110.326 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.96 -175.31 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.385 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.817 HD11 HG22 ' A' ' 104' ' ' THR . 1.1 pt -127.02 152.31 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.799 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -132.46 154.81 49.52 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.578 1.173 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 24' ' ' ARG . 10.3 m -125.36 141.66 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -132.8 112.62 12.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.3 p -104.78 142.15 35.22 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.542 1.151 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -79.71 -85.85 0.59 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.57 1.169 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.14 112.62 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -66.28 155.3 37.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.408 1.068 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.28 110.82 8.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.43 -40.64 78.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.047 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -40.34 75.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.09 139.21 39.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 91' ' ' ALA . 12.1 m-20 -58.14 105.17 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.575 ' HA ' HG22 ' A' ' 92' ' ' VAL . 5.6 mttt -49.56 -28.46 5.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.467 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.3 OUTLIER -76.22 -35.24 59.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -71.68 -52.1 19.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' A' ' 89' ' ' LYS . 33.0 m -57.59 -44.51 85.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.379 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.69 -36.81 77.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.408 1.068 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -62.89 -36.06 82.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -85.94 -39.69 16.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.44 ' CE2' HG13 ' A' ' 100' ' ' ILE . 60.0 t80 -62.13 -31.54 72.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 0.8 OUTLIER -70.23 -38.79 75.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.22 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -62.08 -39.72 93.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.333 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.662 ' CE1' HD22 ' A' ' 103' ' ' LEU . 21.5 t80 -67.91 -52.04 40.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.597 HG21 ' CE2' ' A' ' 26' ' ' TYR . 20.3 mm -65.23 -51.14 68.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.586 1.179 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 97' ' ' ASN . 45.9 tt0 -48.03 -32.72 6.99 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -83.03 -29.26 29.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.662 HD22 ' CE1' ' A' ' 99' ' ' PHE . 2.3 mp -81.74 -17.29 48.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.817 HG22 HD11 ' A' ' 76' ' ' ILE . 21.2 p -107.23 -42.29 4.89 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.583 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 90.06 -28.98 6.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.523 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 10.0 m-85 -75.14 125.2 28.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.19 169.28 12.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.65 -22.85 66.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -69.82 -50.16 45.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.434 ' CD ' ' HA ' ' A' ' 106' ' ' TYR . 13.0 pt-20 -80.74 -32.35 35.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.41 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -51.4 -46.54 62.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.404 ' HG3' ' CE ' ' A' ' 115' ' ' MET . 0.2 OUTLIER -68.1 -22.8 64.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.668 ' HG2' ' OXT' ' A' ' 118' ' ' ASP . 15.9 mttm -78.05 -38.08 45.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.458 ' CE ' ' HB3' ' A' ' 27' ' ' PRO . 0.7 OUTLIER -71.19 -23.54 62.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 111.081 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.488 ' CG ' ' N ' ' A' ' 116' ' ' THR . 5.4 ptt? -98.54 -40.83 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.488 ' N ' ' CG ' ' A' ' 115' ' ' MET . 58.2 m -134.35 128.34 33.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.46 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.39 162.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.668 ' OXT' ' HG2' ' A' ' 113' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.6 ttp . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.572 0.225 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -96.83 154.19 17.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.459 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 2.1 mt-10 -119.53 134.56 55.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.655 ' CE2' HG21 ' A' ' 100' ' ' ILE . 25.0 m-85 -124.95 143.61 44.49 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HG2' ' CD2' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.02 172.12 16.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.77 . . . . 0.0 111.06 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.46 HG21 ' HB ' ' A' ' 34' ' ' THR . 7.6 p -120.61 117.88 54.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -65.17 145.06 56.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -63.97 104.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.73 -45.06 1.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 3.5 m-85 -44.67 160.25 0.24 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.76 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 128.11 11.25 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 34' ' ' THR . 3.5 t -134.93 30.2 3.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.623 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -123.85 150.23 44.82 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.466 1.104 . . . . 0.0 109.382 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.538 ' CD1' ' HG2' ' A' ' 71' ' ' PRO . 13.8 m-85 -52.47 -55.35 22.53 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -64.26 -51.54 63.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.46 ' HB2' ' CB ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -50.08 -49.26 52.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 35' ' ' ASP . 9.2 mt -64.53 -42.23 94.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.482 ' CD ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -51.22 -49.06 61.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.3 mpt_? -55.64 -43.56 76.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -45.88 90.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.399 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.814 HG21 HG13 ' A' ' 50' ' ' VAL . 9.0 mt -60.21 -54.17 38.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.142 . . . . 0.0 109.22 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.8 t -67.12 -24.15 65.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -71.88 -41.74 67.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.062 HD11 ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -77.3 -16.84 58.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.39 34.46 5.82 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 1.062 ' CE1' HD11 ' A' ' 46' ' ' LEU . 2.4 m-30 -104.47 142.88 33.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 0.808 . . . . 0.0 111.064 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 60' ' ' SER . 0.3 OUTLIER -77.67 147.15 35.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.391 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.814 HG13 HG21 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -148.97 140.24 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.247 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.17 146.3 49.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -110.32 104.22 12.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.93 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -123.87 121.49 35.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 67.83 -119.52 11.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.594 1.184 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.47 ' C ' HD23 ' A' ' 56' ' ' LEU . 61.4 m-20 -120.53 -3.22 9.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.576 0.809 . . . . 0.0 109.215 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.512 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.7 mt -95.52 158.32 15.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.528 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -108.36 141.06 24.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 0.0 109.354 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.491 ' O ' HG12 ' A' ' 50' ' ' VAL . 18.4 mm -119.46 127.1 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.624 1.203 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -111.07 135.23 51.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.087 . . . . 0.0 109.364 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.474 ' HB3' ' CB ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -112.1 120.21 41.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.961 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.021 HD11 HD12 ' A' ' 64' ' ' ILE . 6.5 pt -128.02 159.96 64.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 128.98 11.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.0 -24.99 29.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 1.021 HD12 HD11 ' A' ' 61' ' ' ILE . 30.2 mt -107.09 147.66 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -78.75 -62.46 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.23 143.11 19.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.615 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.76 146.79 25.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.686 ' C ' HD12 ' A' ' 69' ' ' ILE . 5.3 mt-10 -110.45 137.16 48.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.826 HG13 HG13 ' A' ' 78' ' ' VAL . 2.3 mp -122.47 144.83 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -138.65 89.38 13.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.234 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.538 ' HG2' ' CD1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -75.09 128.2 11.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.66 153.76 48.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -54.28 -40.13 67.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -69.45 -68.96 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.13 -177.58 6.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.602 1.189 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.755 ' C ' HD13 ' A' ' 77' ' ' LEU . 1.5 pt -127.25 153.79 36.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.402 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.799 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.11 154.26 50.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.826 HG13 HG13 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -132.9 147.33 31.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.355 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -126.66 123.98 38.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.4 p -100.01 148.91 24.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.411 1.07 . . . . 0.0 110.433 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.65 -108.37 1.95 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.562 1.164 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -128.38 117.46 21.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 0.0 109.392 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.788 ' OH ' HD11 ' A' ' 64' ' ' ILE . 3.2 m-85 -76.97 156.64 31.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.453 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 33.6 t0 -66.73 98.98 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.8 m -50.87 -29.56 12.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.032 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -67.48 -32.94 74.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' A' ' 84' ' ' ASP . . . -95.93 141.88 28.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.379 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.45 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 31.9 m-20 -57.0 105.48 0.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.591 1.182 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.894 ' O ' HG23 ' A' ' 93' ' ' VAL . 4.0 pttt -56.52 -28.86 61.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 mp -75.67 -35.84 60.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -61.95 -51.65 67.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.03 -35.42 75.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.582 1.176 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.7 t -51.62 -32.12 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.378 1.049 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -29.13 66.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.235 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -86.09 -40.06 16.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.398 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -65.12 -35.13 80.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 2.4 m-80 -74.46 -34.54 63.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.355 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -63.87 -32.31 73.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.483 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 31.2 t80 -75.22 -52.11 11.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 111.048 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.655 HG21 ' CE2' ' A' ' 26' ' ' TYR . 22.1 mm -67.15 -45.88 85.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 97' ' ' ASN . 3.0 tm-20 -50.13 -32.45 15.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -23.99 22.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.398 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.483 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -81.94 -22.54 36.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.487 HG21 ' HB3' ' A' ' 26' ' ' TYR . 65.3 p -114.12 -46.45 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.367 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' GLU . . . 100.09 -32.04 7.76 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.609 1.193 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.533 ' CD2' ' HG2' ' A' ' 27' ' ' PRO . 51.5 m-85 -77.02 128.74 35.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.971 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.476 ' O ' ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -101.17 -176.5 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.969 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.02 -22.18 61.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.7 -52.7 34.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.495 ' CD ' ' N ' ' A' ' 111' ' ' ARG . 2.6 pp20? -66.12 -30.44 70.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.497 ' O ' ' CG ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -50.51 -38.57 45.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -51.25 -30.82 18.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -51.25 -43.41 61.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 0.6 OUTLIER -67.55 -14.7 63.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -97.28 -37.1 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -148.62 123.95 10.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -74.19 -46.47 41.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.9 ttm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.449 0.166 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -108.2 143.91 36.36 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.449 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 1.7 mt-10 -97.51 134.42 40.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 110.369 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CD2' HG23 ' A' ' 78' ' ' VAL . 22.1 m-85 -113.21 146.67 35.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 110.947 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 26' ' ' TYR . 18.4 Cg_endo -74.92 165.89 30.4 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.479 1.778 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.723 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.5 t -119.27 139.65 45.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -84.1 144.94 28.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -72.03 110.58 6.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.58 -35.74 3.75 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.54 1.15 . . . . 0.0 111.045 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 4.5 m-85 -55.71 159.01 5.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.975 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.24 28.84 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.5 p -136.01 27.79 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.98 143.13 45.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.549 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 9.7 m-85 -51.18 -55.36 18.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.67 -49.1 73.84 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.05 -50.75 58.02 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.508 1.13 . . . . 0.0 110.069 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.663 HG23 HD21 ' A' ' 103' ' ' LEU . 11.6 mt -65.96 -39.89 85.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.682 ' CG ' HG21 ' A' ' 50' ' ' VAL . 14.3 mtpt -52.89 -40.92 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.7 mpt_? -75.0 -32.75 61.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.654 ' HG2' HD12 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -66.29 -39.31 89.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.835 ' HA ' HD23 ' A' ' 46' ' ' LEU . 31.9 mt -64.83 -52.46 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.8 t -67.91 -32.25 72.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.048 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.4 mm-40 -61.82 -24.4 66.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.071 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -91.83 -24.47 19.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.351 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.84 31.18 2.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.452 1.095 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 1.071 ' CE2' HD11 ' A' ' 46' ' ' LEU . 12.4 m-30 -119.1 174.93 6.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 110.975 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.46 161.52 17.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.178 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.682 HG21 ' CG ' ' A' ' 40' ' ' LYS . 1.4 p -135.37 127.26 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -112.09 144.33 41.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 m -111.07 116.54 31.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.86 93.86 4.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.563 1.165 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 82.3 -107.65 2.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.542 ' C ' HD23 ' A' ' 56' ' ' LEU . 33.3 m-20 -121.52 -0.04 9.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.244 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.572 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.4 mt -97.47 158.82 15.28 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.549 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.2 tt -106.38 138.76 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.364 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 11.1 mm -117.75 142.62 31.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.57 1.168 . . . . 0.0 109.259 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.71 142.93 46.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.72 108.57 18.49 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.004 HD11 HD12 ' A' ' 64' ' ' ILE . 8.9 pt -132.29 152.27 79.8 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 136.01 19.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.584 1.834 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.53 -25.66 27.01 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.563 1.164 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 1.004 HD12 HD11 ' A' ' 61' ' ' ILE . 18.9 mt -107.62 141.86 21.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -76.75 -62.66 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 1.176 . . . . 0.0 109.959 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -155.1 139.97 17.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.65 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -136.32 151.44 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.606 ' C ' HD12 ' A' ' 69' ' ' ILE . 4.1 mt-10 -116.23 135.74 53.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.748 HG13 HG13 ' A' ' 78' ' ' VAL . 2.5 mp -121.71 144.72 29.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HE3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -138.29 93.48 11.44 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 36' ' ' TYR . 18.4 Cg_endo -74.93 126.68 10.17 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.83 150.76 52.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -55.59 -39.96 71.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -68.31 -68.91 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.248 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.85 -173.27 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.374 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.879 ' C ' HD13 ' A' ' 77' ' ' LEU . 4.8 pt -130.8 163.33 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.879 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -148.93 153.36 37.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.748 HG13 HG13 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -133.01 147.2 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -126.49 118.26 24.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.1 p -102.57 139.87 37.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.95 -99.62 0.75 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -129.07 146.34 51.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 109.357 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.652 ' OH ' HD11 ' A' ' 64' ' ' ILE . 3.8 m-30 -104.29 156.78 17.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.33 112.65 9.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.9 p -54.64 -30.19 54.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.059 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.34 -50.83 66.24 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.63 147.66 48.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.634 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 48.1 m-20 -70.02 101.19 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.536 ' HA ' HG22 ' A' ' 92' ' ' VAL . 9.3 mtmt -50.76 -28.8 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.06 -36.43 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.184 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -74.86 -51.63 13.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.608 HG13 ' O ' ' A' ' 88' ' ' ASP . 2.5 m -56.47 -27.91 25.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.7 t -72.03 -36.41 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 109.244 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.462 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -64.41 -27.8 69.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.453 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 2.5 m -86.8 -34.55 19.52 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.462 ' CD1' ' CD1' ' A' ' 64' ' ' ILE . 44.1 t80 -73.79 -35.04 64.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -41.72 70.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -63.0 -32.66 74.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.654 ' CE1' HD22 ' A' ' 103' ' ' LEU . 2.9 t80 -67.05 -45.95 75.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.447 ' O ' HG23 ' A' ' 104' ' ' THR . 10.1 mm -78.04 -36.04 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.466 ' O ' ' CA ' ' A' ' 105' ' ' GLY . 22.5 tt0 -56.0 -34.05 65.44 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.418 1.074 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -90.48 -15.15 31.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.382 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.663 HD21 HG23 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -88.82 -27.31 21.17 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.603 HG22 HD11 ' A' ' 76' ' ' ILE . 22.0 p -115.55 -32.21 5.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.428 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 101' ' ' GLU . . . 97.51 -37.3 3.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.583 1.177 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -63.03 145.31 55.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 0.756 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.418 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 52.7 p -110.22 167.56 10.1 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.5 -35.89 80.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -26.41 66.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 111' ' ' ARG . 0.5 OUTLIER -69.69 -31.84 70.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.167 . . . . 0.0 110.206 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.463 ' O ' ' CG ' ' A' ' 114' ' ' MET . 2.2 ttm-85 -50.0 -33.46 18.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -45.22 82.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.227 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -48.93 -49.8 38.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 5.4 ptm -73.5 -16.05 61.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -55.37 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 116' ' ' THR . 9.9 t -144.67 107.34 4.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.738 ' O ' ' OXT' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -82.0 -58.81 2.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.738 ' OXT' ' O ' ' A' ' 117' ' ' LYS . 4.0 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -119.59 125.31 48.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -98.37 123.9 42.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 53.6 m-85 -115.4 146.25 36.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 26' ' ' TYR . 18.1 Cg_endo -75.01 173.48 14.43 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.619 1.852 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.76 ' CG2' HG23 ' A' ' 76' ' ' ILE . 4.0 t -125.7 135.41 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.241 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.554 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -81.84 147.07 29.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 10.9 mtpt -70.55 106.35 3.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.05 -47.19 1.05 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 104' ' ' THR . 3.8 m-85 -40.77 159.97 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.803 . . . . 0.0 111.069 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 137.03 21.16 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.453 1.765 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 p -137.25 32.38 2.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.396 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.03 148.98 44.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.633 1.208 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.558 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 7.3 m-85 -55.6 -54.23 46.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -51.68 68.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.98 -52.86 30.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.055 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.965 HG22 HD11 ' A' ' 43' ' ' ILE . 50.8 mt -64.14 -38.58 82.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.534 ' HG2' HG11 ' A' ' 50' ' ' VAL . 16.4 mttm -56.07 -40.82 74.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.472 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.9 mpt_? -74.88 -38.81 61.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.085 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -36.9 85.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.965 HD11 HG22 ' A' ' 39' ' ' ILE . 22.4 mt -66.26 -50.86 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 t -71.3 -24.74 62.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.8 mm-40 -77.65 -23.39 49.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 110.348 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.924 HD21 ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.13 -23.53 22.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.59 23.46 5.06 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.509 1.131 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.924 ' CD2' HD21 ' A' ' 46' ' ' LEU . 10.5 m-30 -112.11 171.95 7.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 0.779 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.467 ' CB ' ' HB2' ' A' ' 60' ' ' SER . 0.2 OUTLIER -114.55 161.77 17.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.534 HG11 ' HG2' ' A' ' 40' ' ' LYS . 2.5 p -141.83 130.48 22.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -114.05 144.59 42.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.612 1.195 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.2 p -101.99 99.99 10.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.79 90.83 3.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.75 -110.8 3.14 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.481 ' C ' HD23 ' A' ' 56' ' ' LEU . 30.6 m-20 -114.67 -4.45 12.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 0.72 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.544 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.2 mt -95.39 160.53 14.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.535 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.2 tt -108.38 140.3 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 12.7 mm -117.31 130.97 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.48 141.04 36.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.467 ' HB2' ' CB ' ' A' ' 49' ' ' ASP . 2.7 m -112.34 103.91 12.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.047 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.856 HD11 HD13 ' A' ' 64' ' ' ILE . 8.0 pt -121.51 154.56 59.66 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.81 20.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.426 1.75 . . . . 0.0 111.083 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.55 -25.42 26.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.578 1.174 . . . . 0.0 111.029 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.856 HD13 HD11 ' A' ' 61' ' ' ILE . 2.3 mp -107.44 150.64 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.394 0.702 . . . . 0.0 109.355 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.9 m -81.96 -62.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.032 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -155.24 141.89 18.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.407 1.067 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.603 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.69 150.4 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.8 mt-10 -107.79 137.28 46.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.544 HD13 HG13 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -118.48 140.74 40.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.459 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -135.24 88.29 26.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.558 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.4 Cg_endo -74.96 127.5 10.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.58 1.831 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -131.34 149.41 52.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.078 . . . . 0.0 109.273 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -56.96 -35.27 68.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.68 -63.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.259 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 1.0 OUTLIER -153.78 178.28 10.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.187 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.89 ' C ' HD13 ' A' ' 77' ' ' LEU . 4.2 pt -126.25 158.53 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.89 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -144.78 154.1 42.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.544 HG13 HD13 ' A' ' 69' ' ' ILE . 3.4 t -132.74 149.53 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.393 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -133.52 130.2 38.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.256 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.4 p -110.48 163.97 13.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -110.82 -76.06 0.83 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -146.14 138.93 25.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 0.0 109.351 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.431 ' HB3' ' CG ' ' A' ' 89' ' ' LYS . 2.9 m-85 -98.56 159.28 15.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.592 1.183 . . . . 0.0 110.967 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.57 107.21 4.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.551 1.157 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.5 -42.71 71.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.947 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.19 -48.07 77.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.41 130.88 38.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.374 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.418 ' O ' HG13 ' A' ' 92' ' ' VAL . 0.7 OUTLIER -56.24 101.86 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.798 ' O ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -52.82 -28.66 23.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.202 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.62 -32.28 69.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.11 -50.17 17.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' A' ' 89' ' ' LYS . 1.6 m -63.41 -26.69 41.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.3 t -62.89 -37.65 79.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 95' ' ' THR . 1.6 ppt_? -68.62 -25.02 64.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.468 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 2.9 m -86.43 -31.78 21.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -74.46 -43.07 57.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.403 1.065 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.9 -39.74 87.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.426 1.079 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.0 -36.7 84.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 109.366 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.51 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 15.7 t80 -65.29 -51.52 60.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 104' ' ' THR . 46.7 mm -70.46 -39.35 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 105' ' ' GLY . 34.8 tt0 -55.13 -35.07 64.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.03 -25.15 23.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.51 HD22 ' CZ ' ' A' ' 99' ' ' PHE . 1.6 mp -80.61 -18.99 46.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.579 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 74.6 p -115.14 -46.74 2.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.569 ' HA3' ' CZ ' ' A' ' 32' ' ' PHE . . . 107.27 -36.06 4.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.574 1.171 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -62.31 143.63 56.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 111.071 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.471 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -111.53 168.02 9.87 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.515 1.134 . . . . 0.0 110.05 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.68 72.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.1 . . . . 0.0 109.254 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -31.98 72.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 107' ' ' SER . 0.6 OUTLIER -55.32 -31.44 61.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.16 . . . . 0.0 110.314 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.401 ' O ' ' CG ' ' A' ' 115' ' ' MET . 0.6 OUTLIER -49.4 -26.38 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.363 179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -73.5 -62.11 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.87 -57.42 2.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' A' ' 115' ' ' MET . 0.0 OUTLIER -59.77 -34.3 72.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.451 ' N ' ' SD ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -66.54 -50.64 62.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.0 p -134.45 116.23 14.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -62.5 -47.18 85.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 109.393 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 109.354 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.9 ttp . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.454 0.169 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.7 148.13 30.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -108.41 128.55 54.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.673 ' CE2' HG21 ' A' ' 100' ' ' ILE . 31.2 m-85 -118.46 144.89 36.12 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.454 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 167.04 27.93 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -117.66 144.18 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -90.0 145.72 24.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -66.77 99.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.372 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.42 -39.32 2.32 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 2.1 m-85 -50.34 161.65 0.59 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 128.51 11.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 34' ' ' THR . 6.7 t -138.38 30.93 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.413 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.03 147.55 50.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.569 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 9.9 m-85 -48.0 -53.79 15.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -60.95 -51.62 68.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -52.8 37.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.812 HG22 HD11 ' A' ' 43' ' ' ILE . 67.8 mt -64.87 -36.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.536 ' HG2' HG21 ' A' ' 50' ' ' VAL . 3.8 mtmt -56.27 -40.38 74.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.239 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.4 mpt_? -76.9 -35.71 57.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -35.26 79.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.9 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.0 mt -65.46 -52.42 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 t -70.51 -34.94 72.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.7 mm-40 -63.6 -25.01 68.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.055 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -86.39 -26.03 24.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.72 29.16 2.96 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.609 1.193 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 1.055 ' CE2' HD11 ' A' ' 46' ' ' LEU . 14.7 m-30 -119.76 176.17 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 0.806 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.89 162.19 18.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.536 HG21 ' HG2' ' A' ' 40' ' ' LYS . 1.4 p -139.9 133.73 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.067 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -110.75 143.73 40.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.0 p -104.22 102.54 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.946 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.57 96.17 6.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.398 1.061 . . . . 0.0 110.338 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.09 -108.31 2.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.557 ' C ' HD23 ' A' ' 56' ' ' LEU . 25.1 m-20 -117.27 -1.62 11.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.771 HD12 ' OE2' ' A' ' 68' ' ' GLU . 2.7 mt -96.41 154.64 17.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.556 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.5 tt -106.64 138.09 34.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 36.9 mm -117.69 136.81 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.524 ' HB3' ' CG1' ' A' ' 67' ' ' ILE . . . -104.47 139.12 39.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.32 96.28 6.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.074 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.828 HD11 HD12 ' A' ' 64' ' ' ILE . 16.8 pt -121.81 153.03 60.03 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 136.3 20.23 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.523 1.802 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.407 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 99.54 -25.14 29.41 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.828 HD12 HD11 ' A' ' 61' ' ' ILE . 4.3 mt -107.02 162.25 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.41 0.712 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.439 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 31.7 t -96.54 -62.51 1.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.33 135.49 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 110.218 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.524 ' CG1' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -134.56 148.55 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.771 ' OE2' HD12 ' A' ' 56' ' ' LEU . 5.3 mt-10 -108.38 136.57 47.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.474 ' HB ' ' CG2' ' A' ' 57' ' ' ILE . 0.2 OUTLIER -119.37 138.52 49.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.558 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -133.05 88.46 36.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.569 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -74.9 132.57 15.71 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.17 148.71 46.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -55.57 -43.26 75.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -64.31 0.9 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.748 ' CE ' HD12 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -150.53 -166.49 2.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.77 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.0 pt -141.04 155.21 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.804 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -140.21 153.48 46.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.401 1.063 . . . . 0.0 109.284 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.512 HG23 ' CD2' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -133.2 147.2 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.437 ' OD1' ' CB ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -134.89 127.77 31.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.408 ' HA ' HG22 ' A' ' 67' ' ' ILE . 69.5 p -97.53 145.92 25.77 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.457 1.098 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -100.2 -100.02 2.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.146 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -115.82 113.73 23.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.594 0.82 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.435 ' O ' ' O ' ' A' ' 84' ' ' ASP . 1.4 m-85 -73.99 160.82 30.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.585 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -44.59 169.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.6 m -99.57 -63.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.26 52.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.585 ' HB3' ' CB ' ' A' ' 84' ' ' ASP . . . -128.72 136.49 50.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.519 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 8.7 m-20 -56.27 102.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.531 ' HA ' HG22 ' A' ' 92' ' ' VAL . 0.2 OUTLIER -49.91 -29.07 7.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.03 -34.8 59.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.519 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -73.08 -51.12 19.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.531 HG22 ' HA ' ' A' ' 89' ' ' LYS . 4.9 m -59.16 -33.37 50.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.9 t -72.7 -44.71 59.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -63.16 -27.35 69.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 16.7 m -86.66 -26.51 24.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.375 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -78.49 -34.55 47.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.413 ' CG ' ' O ' ' A' ' 93' ' ' VAL . 4.5 m120 -73.01 -41.43 64.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.185 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.64 -37.83 82.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.547 ' CE2' HD22 ' A' ' 103' ' ' LEU . 39.6 t80 -67.12 -48.04 69.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.673 HG21 ' CE2' ' A' ' 26' ' ' TYR . 50.0 mm -70.41 -38.27 73.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.615 1.197 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -54.82 -32.67 60.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.55 -22.51 28.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.547 HD22 ' CE2' ' A' ' 99' ' ' PHE . 5.7 mp -89.16 -13.31 38.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 109.374 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 100' ' ' ILE . 81.7 p -113.86 -48.79 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.596 1.185 . . . . 0.0 110.454 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.569 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 81.86 3.22 90.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.578 1.174 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.603 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 5.7 m-85 -102.7 126.96 49.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 0.812 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -87.33 161.44 17.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.953 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.11 -23.5 66.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.362 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -47.48 67.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.603 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 14.7 pt-20 -81.02 -31.57 34.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.44 ' O ' ' CG ' ' A' ' 114' ' ' MET . 6.7 ttm180 -51.07 -43.06 60.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.462 ' O ' HG22 ' A' ' 116' ' ' THR . 3.6 tttp -74.94 -32.98 61.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -55.39 -46.54 76.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 4.6 ptm -71.0 -4.66 26.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 110.981 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 2.2 mtt -105.22 -44.7 4.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 116' ' ' THR . 10.1 t -103.75 71.51 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.592 1.183 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -71.48 173.48 7.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.378 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.545 ' HE2' ' HB2' ' A' ' 77' ' ' LEU . 7.7 ttt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.503 0.192 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.42 132.47 53.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -87.6 140.38 29.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.297 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.699 ' CD2' HG21 ' A' ' 100' ' ' ILE . 23.4 m-85 -116.92 142.55 30.0 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 26' ' ' TYR . 18.5 Cg_endo -74.94 172.22 16.78 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.444 1.76 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.439 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.1 t -123.41 140.82 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 32' ' ' PHE . 2.0 tpmt? -99.38 146.45 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 3.7 mptt -64.98 112.15 3.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 115.24 28.91 2.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 29' ' ' LYS . 17.0 m-85 -131.02 155.0 82.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 138.24 22.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 p -133.84 31.69 3.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.16 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.89 149.64 49.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.161 . . . . 0.0 109.216 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 10.9 m-85 -53.3 -55.31 25.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.572 1.17 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -50.25 74.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 1.086 . . . . 0.0 109.357 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -50.0 -52.96 29.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.058 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.953 HG22 HD11 ' A' ' 43' ' ' ILE . 52.5 mt -64.8 -40.07 87.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.811 ' HG2' HG21 ' A' ' 50' ' ' VAL . 1.6 mtmt -50.11 -37.2 32.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.1 mpt_? -77.44 -39.8 45.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.203 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -63.18 -33.88 76.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.953 HD11 HG22 ' A' ' 39' ' ' ILE . 11.2 mt -69.61 -55.17 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -68.09 -24.08 65.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.2 mm-40 -70.7 -19.98 62.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.821 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -98.11 -21.54 16.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.15 27.85 3.54 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.491 1.119 . . . . 0.0 111.06 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.773 ' CZ ' HD11 ' A' ' 46' ' ' LEU . 9.3 m-30 -113.76 172.11 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.07 161.71 18.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.811 HG21 ' HG2' ' A' ' 40' ' ' LYS . 1.9 p -142.15 127.51 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.608 ' N ' ' CD ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -103.44 142.69 33.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.3 p -106.19 88.52 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.956 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -94.78 103.95 15.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.97 -104.88 0.73 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.608 ' C ' HD23 ' A' ' 56' ' ' LEU . 6.5 m-20 -118.61 -0.05 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.608 HD23 ' C ' ' A' ' 55' ' ' ASP . 2.6 mt -99.96 154.83 18.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -115.19 135.03 56.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.478 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 34.1 mm -115.08 131.32 67.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.62 140.55 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.8 t -108.79 104.63 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.904 HD11 HD13 ' A' ' 64' ' ' ILE . 11.0 pt -126.21 152.94 74.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.74 16.97 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.771 . . . . 0.0 111.062 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.56 -25.91 26.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.09 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.904 HD13 HD11 ' A' ' 61' ' ' ILE . 3.1 mp -107.97 148.89 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.736 . . . . 0.0 109.231 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -81.41 -62.71 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -155.12 139.27 16.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.654 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -136.58 152.77 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.478 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 8.3 mt-10 -107.07 135.95 47.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.602 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -121.0 136.9 56.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.474 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.02 88.9 17.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.604 1.19 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.564 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -75.02 130.83 13.62 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.458 1.767 . . . . 0.0 111.066 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.53 148.58 49.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.8 mttp -49.98 -40.13 43.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.74 -67.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.15 -168.46 3.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.07 . . . . 0.0 109.254 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.824 ' C ' HD13 ' A' ' 77' ' ' LEU . 2.7 pt -134.69 158.88 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.824 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -141.32 154.49 45.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.381 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.574 HG13 HD13 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -132.59 147.18 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -129.02 123.99 33.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.442 ' HA ' HG22 ' A' ' 67' ' ' ILE . 75.7 p -97.99 151.69 20.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.46 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.12 -88.21 1.42 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -119.49 119.16 33.04 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.471 0.748 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.43 ' O ' ' O ' ' A' ' 84' ' ' ASP . 1.2 m-85 -83.66 160.81 21.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.591 1.182 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.779 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -45.38 171.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 p -113.35 -55.0 2.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.395 1.059 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.1 1.42 28.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.779 ' HB3' ' CB ' ' A' ' 84' ' ' ASP . . . -111.8 130.24 55.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 91' ' ' ALA . 7.2 m-20 -66.1 106.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.848 ' O ' HG23 ' A' ' 93' ' ' VAL . 2.6 pttt -49.42 -24.82 2.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.06 -37.13 58.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -73.72 -50.56 20.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.648 HG22 ' HA ' ' A' ' 89' ' ' LYS . 5.0 m -58.35 -32.49 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.637 1.211 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.0 t -52.46 -33.15 17.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.463 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -66.82 -29.58 69.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.6 m -84.6 -32.47 23.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -74.37 -36.75 63.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.75 -40.63 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.16 -38.29 82.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.275 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.636 ' CE1' HD22 ' A' ' 103' ' ' LEU . 29.3 t80 -64.04 -43.88 94.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.699 HG21 ' CD2' ' A' ' 26' ' ' TYR . 21.5 mm -75.49 -37.72 38.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.0 OUTLIER -54.97 -34.51 63.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.352 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.62 -17.12 29.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.378 1.049 . . . . 0.0 109.338 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.636 HD22 ' CE1' ' A' ' 99' ' ' PHE . 1.0 OUTLIER -90.05 -16.55 29.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 100' ' ' ILE . 47.4 p -122.72 -42.81 2.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 32' ' ' PHE . . . 102.42 -33.85 6.21 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.566 ' CE1' ' HE3' ' A' ' 29' ' ' LYS . 31.3 m-85 -63.4 148.01 49.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 0.735 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -110.6 164.67 12.5 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.49 1.118 . . . . 0.0 109.991 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.499 ' O ' ' CG ' ' A' ' 111' ' ' ARG . . . -61.1 -32.94 72.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -62.03 -30.82 71.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.603 1.189 . . . . 0.0 109.376 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' ' 107' ' ' SER . 0.3 OUTLIER -61.91 -31.5 71.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.552 ' O ' ' CG ' ' A' ' 114' ' ' MET . 1.7 ppt_? -49.33 -33.14 12.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.513 ' O ' ' CG ' ' A' ' 115' ' ' MET . 0.1 OUTLIER -54.7 -41.6 70.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -53.4 -39.16 64.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.213 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.552 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -58.1 -15.94 11.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.513 ' CG ' ' O ' ' A' ' 112' ' ' LYS . 3.6 ptm -66.48 -18.07 65.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 43.7 p -84.47 49.82 1.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.393 1.058 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.22 86.42 7.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.078 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.5 ttp . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.443 0.163 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -113.12 138.4 49.99 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.538 1.149 . . . . 0.0 110.198 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -100.09 134.62 42.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' HG23 ' A' ' 78' ' ' VAL . 16.0 m-85 -121.98 143.3 38.39 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 175.08 11.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.4 p -130.14 139.94 50.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.602 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -85.8 146.66 26.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -69.12 116.53 9.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.371 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.12 -27.03 8.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.602 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 5.6 m-85 -66.02 160.56 62.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.394 0.702 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 131.26 14.08 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.463 ' O ' HG22 ' A' ' 34' ' ' THR . 1.1 m -125.85 5.29 7.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -96.88 139.73 32.49 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.485 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.9 m-85 -48.32 -55.04 11.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.611 1.194 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -45.51 88.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.6 m -52.84 -45.87 67.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.547 ' CG2' HD21 ' A' ' 103' ' ' LEU . 13.6 mt -69.43 -37.32 74.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.635 1.21 . . . . 0.0 109.355 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.51 -36.42 61.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 109.361 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.1 mpt_? -77.26 -33.39 55.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.265 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -65.84 -43.23 89.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.8 ' HA ' HD23 ' A' ' 46' ' ' LEU . 20.0 mt -61.35 -54.49 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.0 t -65.54 -34.17 77.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.943 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -58.1 -36.13 72.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.042 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -80.67 -25.86 37.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.77 34.61 1.67 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.432 1.082 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 1.042 ' CE2' HD11 ' A' ' 46' ' ' LEU . 10.8 m-30 -119.97 172.39 7.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.759 . . . . 0.0 111.046 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.71 161.09 16.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.3 p -140.11 129.32 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.632 1.208 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -113.35 146.6 39.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.5 p -104.08 114.59 28.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.932 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -111.98 95.48 5.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.36 -102.24 0.65 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.449 1.093 . . . . 0.0 111.041 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.524 ' C ' HD23 ' A' ' 56' ' ' LEU . 11.7 m-20 -118.6 -1.43 11.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 109.379 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.539 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.5 mt -97.73 159.15 15.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.485 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -107.57 139.33 29.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.157 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 10.2 mm -119.19 137.99 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.66 144.09 36.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.225 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.5 104.47 12.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.079 HD11 HD12 ' A' ' 64' ' ' ILE . 9.2 pt -129.87 146.9 63.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.366 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 61' ' ' ILE . 18.5 Cg_endo -74.98 137.43 21.76 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.437 1.756 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.495 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 100.13 -24.46 32.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 1.079 HD12 HD11 ' A' ' 61' ' ' ILE . 5.7 mt -106.49 159.77 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.42 0.718 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.1 t -92.37 -62.33 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 110.029 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.02 139.91 17.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.511 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -138.07 144.13 31.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.578 ' C ' HD12 ' A' ' 69' ' ' ILE . 7.2 mt-10 -114.31 138.26 50.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.601 1.188 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.69 HG13 HG13 ' A' ' 78' ' ' VAL . 2.6 mp -123.84 144.18 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.452 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -136.87 92.2 14.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.463 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.0 Cg_endo -75.06 127.21 10.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.31 149.95 50.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.403 1.064 . . . . 0.0 109.383 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -52.57 -29.01 23.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.396 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -79.1 -65.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.11 -166.66 2.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.874 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.8 pt -134.57 157.32 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.874 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -142.2 154.14 44.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.69 HG13 HG13 ' A' ' 69' ' ' ILE . 0.7 OUTLIER -133.22 148.27 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 79' ' ' ASN . 0.1 OUTLIER -131.44 122.74 26.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 47.0 p -101.49 144.91 29.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.437 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.85 -95.17 0.49 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -143.31 106.43 4.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.508 0.769 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.421 ' CD2' HG21 ' A' ' 92' ' ' VAL . 4.5 m-30 -58.54 156.79 10.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.61 118.99 21.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.88 -51.38 69.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -44.95 -40.97 6.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.219 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.21 152.1 34.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.474 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 3.1 m-20 -74.78 103.01 4.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.53 ' HA ' HG22 ' A' ' 92' ' ' VAL . 10.2 mttp -49.13 -28.5 4.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.478 ' O ' ' CG ' ' A' ' 94' ' ' ARG . 0.2 OUTLIER -76.41 -36.72 57.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 109.176 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.474 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -69.24 -51.87 33.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 109.212 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 89' ' ' LYS . 35.6 m -56.99 -52.52 54.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.511 ' N ' HG23 ' A' ' 92' ' ' VAL . 3.5 t -55.69 -40.35 59.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 90' ' ' LEU . 9.3 mmt85 -62.44 -32.88 73.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.0 m -85.34 -40.16 16.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.406 ' CE1' HG13 ' A' ' 100' ' ' ILE . 29.5 t80 -65.41 -41.82 93.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.157 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -63.34 -40.88 98.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -59.77 -36.08 75.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.681 ' CE1' HD22 ' A' ' 103' ' ' LEU . 2.9 t80 -74.75 -47.15 32.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.504 HD12 HG21 ' A' ' 78' ' ' VAL . 33.7 mm -66.04 -49.46 76.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -50.59 -31.32 15.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -83.27 -24.91 32.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.681 HD22 ' CE1' ' A' ' 99' ' ' PHE . 1.9 mp -90.0 -13.54 35.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 100' ' ' ILE . 38.2 p -111.61 -34.1 6.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.339 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.583 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 65.48 9.32 43.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.591 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 3.0 m-85 -112.01 127.35 55.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 100.0 p -88.98 165.42 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.997 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.32 -23.03 66.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -50.1 43.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.591 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 12.5 pt-20 -79.29 -39.62 32.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.419 ' CG ' ' HB3' ' A' ' 106' ' ' TYR . 25.6 mtm180 -51.22 -40.69 59.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.242 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 116' ' ' THR . 0.3 OUTLIER -75.99 -29.19 58.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 16.4 mttm -59.61 -42.8 93.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.388 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -8.78 25.34 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.36 -38.06 7.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.117 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 116' ' ' THR . 6.5 t -98.04 101.84 13.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -42.91 157.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.601 1.188 . . . . 0.0 109.321 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' A' ' 78' ' ' VAL . 23.0 ttm . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.563 0.22 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.52 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -96.95 139.66 32.64 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 110.238 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -93.37 163.92 13.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.319 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.61 ' HD2' HG13 ' A' ' 78' ' ' VAL . 46.9 m-85 -163.28 137.93 4.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.6 Cg_endo -74.9 168.93 23.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.7 p -125.39 145.3 32.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -89.15 147.0 24.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.366 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 15.7 tttm -73.7 100.42 3.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.64 -39.54 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.594 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 2.1 m-85 -46.2 167.0 0.15 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.497 0.763 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.425 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.1 Cg_endo -75.08 130.31 13.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.4 p -130.17 21.82 5.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.437 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.47 141.98 48.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.567 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.0 m-85 -47.57 -56.27 7.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -56.67 -46.29 81.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.425 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 3.0 m -55.88 -50.24 71.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.471 ' CG2' HD21 ' A' ' 103' ' ' LEU . 56.3 mt -68.17 -33.62 61.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.374 1.047 . . . . 0.0 109.334 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.898 ' HG3' HG21 ' A' ' 50' ' ' VAL . 3.1 mtpt -56.99 -42.52 80.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.16 . . . . 0.0 109.338 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.3 mpt_? -71.35 -32.11 68.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -64.53 -40.58 95.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.845 ' HA ' HD23 ' A' ' 46' ' ' LEU . 17.8 mt -61.72 -55.21 25.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.415 1.072 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 t -66.55 -34.4 77.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 0.0 110.058 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 2.0 mm-40 -64.08 -26.52 68.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 0.0 110.313 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.909 HD21 ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.6 -21.85 22.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.079 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.66 25.33 5.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.373 1.046 . . . . 0.0 111.066 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.909 ' CD2' HD21 ' A' ' 46' ' ' LEU . 10.7 m-30 -113.7 177.82 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.982 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.23 160.28 23.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.898 HG21 ' HG3' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -138.4 137.04 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.8 mmtt -113.99 144.33 43.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.5 m -99.91 99.52 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -108.29 115.8 30.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 52.39 -109.06 0.79 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.589 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -121.52 3.78 10.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.798 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.691 HD12 ' OE2' ' A' ' 68' ' ' GLU . 2.6 mt -99.47 157.67 16.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.567 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.7 OUTLIER -103.16 133.98 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.078 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.803 HG21 ' HD3' ' A' ' 66' ' ' ARG . 24.0 mm -114.19 127.42 71.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.0 133.85 49.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.387 1.054 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.8 t -102.7 112.52 25.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 110.049 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.896 HD11 HD13 ' A' ' 64' ' ' ILE . 8.7 pt -133.37 153.9 80.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.78 22.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.46 -26.74 22.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.896 HD13 HD11 ' A' ' 61' ' ' ILE . 3.1 mp -108.56 156.49 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -89.63 -61.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.803 ' HD3' HG21 ' A' ' 58' ' ' ILE . 2.1 mtm-85 -154.7 135.67 13.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.708 HD12 HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -133.24 153.58 37.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.691 ' OE2' HD12 ' A' ' 56' ' ' LEU . 4.7 mt-10 -115.58 137.46 52.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.589 HD13 ' C ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -120.95 143.43 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.417 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 2.5 mppt? -137.89 92.19 12.89 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HG3' HD12 ' A' ' 39' ' ' ILE . 18.0 Cg_endo -75.05 138.33 22.77 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.86 148.67 37.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -63.32 -18.45 63.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -90.39 -65.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.75 -175.19 4.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.244 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.982 HD11 HG22 ' A' ' 104' ' ' THR . 1.3 pt -132.57 150.75 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.841 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.08 156.53 48.59 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.61 HG13 ' HD2' ' A' ' 26' ' ' TYR . 4.3 m -126.27 143.8 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -136.77 111.89 9.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.2 p -94.72 168.28 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -124.09 -72.89 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -134.54 133.75 40.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.532 ' CE2' HG23 ' A' ' 92' ' ' VAL . 0.6 OUTLIER -98.16 160.86 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.889 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -43.55 167.72 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.563 1.164 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 m -111.43 -45.07 3.43 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.367 1.042 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.74 -18.97 25.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.889 ' HB3' ' CB ' ' A' ' 84' ' ' ASP . . . -86.72 122.18 30.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.359 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.464 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 1.8 m-20 -53.86 108.09 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.876 ' O ' HG23 ' A' ' 93' ' ' VAL . 24.3 mttm -48.44 -45.46 36.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.597 1.186 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.9 -27.2 68.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.263 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -75.77 -51.27 13.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.532 HG23 ' CE2' ' A' ' 83' ' ' TYR . 4.7 m -69.02 -21.72 25.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.2 t -57.32 -41.07 77.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.499 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -64.68 -26.88 68.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.1 m -86.57 -30.48 21.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.529 ' HB2' HD11 ' A' ' 64' ' ' ILE . 47.9 t80 -65.89 -49.4 68.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 101' ' ' GLU . 7.9 m-20 -68.55 -37.87 80.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -52.95 -40.89 64.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.658 ' CE1' HD22 ' A' ' 103' ' ' LEU . 13.5 t80 -67.95 -38.66 83.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.909 ' O ' HG23 ' A' ' 104' ' ' THR . 10.7 mm -74.85 -31.12 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -60.39 -35.21 75.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -19.81 33.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.658 HD22 ' CE1' ' A' ' 99' ' ' PHE . 2.5 mp -91.38 -11.8 36.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.982 HG22 HD11 ' A' ' 76' ' ' ILE . 60.7 p -116.3 -42.79 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.594 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 82.52 6.31 88.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.113 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.487 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 6.2 m-85 -103.01 126.27 50.12 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.546 0.792 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.96 168.74 10.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.08 -21.91 66.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.47 -52.22 28.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.429 ' CD ' ' HA ' ' A' ' 106' ' ' TYR . 11.0 pt-20 -80.71 -31.92 35.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.346 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.436 ' O ' ' CG ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -51.2 -41.97 60.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -75.5 -34.96 60.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -52.75 -46.82 67.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -66.85 -8.24 27.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.96 15.37 28.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 85.7 m -95.35 -38.38 10.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -51.9 61.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.419 1.074 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 39.9 t0 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.55 0.214 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -105.1 128.79 53.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.362 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -97.88 128.27 44.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.495 ' HB3' HG21 ' A' ' 104' ' ' THR . 24.4 m-85 -117.14 149.31 44.13 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.531 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.1 Cg_endo -75.07 169.62 22.2 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.909 ' CG2' HG23 ' A' ' 76' ' ' ILE . 15.5 t -129.72 128.59 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.258 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -70.06 144.48 52.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 15.1 mttt -67.37 105.6 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.2 -43.85 1.42 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 2.4 m-85 -42.66 165.77 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.443 0.731 . . . . 0.0 110.959 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 131.73 14.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.782 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.477 ' CG2' HG11 ' A' ' 28' ' ' VAL . 38.5 p -135.12 27.34 3.52 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -121.32 148.15 44.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.559 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 9.4 m-85 -55.72 -52.11 65.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.98 -48.02 81.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -56.28 -52.98 62.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.634 1.209 . . . . 0.0 110.063 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.91 HG22 HD11 ' A' ' 43' ' ' ILE . 48.0 mt -64.19 -39.41 85.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.827 ' HG3' HG11 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -50.68 -48.29 58.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.51 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.7 mpt_? -77.18 -29.73 54.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -39.0 90.52 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.91 HD11 HG22 ' A' ' 39' ' ' ILE . 9.4 mt -66.88 -53.12 37.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.0 t -67.79 -26.39 66.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -64.95 -19.18 65.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.074 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -96.42 -21.42 17.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.601 1.188 . . . . 0.0 109.248 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.37 32.57 2.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.404 1.065 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 1.074 ' CE2' HD11 ' A' ' 46' ' ' LEU . 11.2 m-30 -118.78 177.61 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.29 162.39 17.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.827 HG11 ' HG3' ' A' ' 40' ' ' LYS . 2.6 p -138.95 128.99 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -114.36 144.71 42.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 p -102.61 116.2 32.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.938 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -117.59 90.98 3.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.339 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 73.16 -106.5 1.99 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.435 ' C ' HD23 ' A' ' 56' ' ' LEU . 6.3 m-20 -118.48 -0.71 11.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 0.774 . . . . 0.0 109.233 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.54 HD12 ' OE2' ' A' ' 68' ' ' GLU . 3.8 mt -96.83 160.2 14.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.516 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -105.54 139.63 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 23.6 mm -119.91 132.66 69.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.57 139.64 43.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.57 1.169 . . . . 0.0 109.228 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.15 101.33 10.12 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.443 1.09 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.792 HG22 ' CD2' ' A' ' 48' ' ' PHE . 14.8 pt -122.66 153.21 62.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.57 ' HD3' ' CE1' ' A' ' 48' ' ' PHE . 18.2 Cg_endo -75.03 134.16 17.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.496 1.787 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.409 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 100.5 -25.46 28.22 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.56 1.163 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.784 HD13 ' CD1' ' A' ' 61' ' ' ILE . 4.0 mp -107.42 151.13 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -86.57 -62.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -155.3 138.32 15.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.763 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.7 144.33 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.394 1.059 . . . . 0.0 109.277 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.813 ' C ' HD12 ' A' ' 69' ' ' ILE . 3.9 mt-10 -106.55 136.79 45.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.92 HG13 HG13 ' A' ' 78' ' ' VAL . 3.0 mp -125.36 141.23 45.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.498 ' HE3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -136.31 93.1 15.0 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.364 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.559 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.1 Cg_endo -75.01 129.17 12.09 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.802 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.79 149.84 52.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.247 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -52.89 -28.42 23.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.443 ' CD ' ' HE2' ' A' ' 75' ' ' LYS . 7.5 ttm180 -77.87 -67.78 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' HE2' ' CD ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -153.04 -172.05 4.12 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.604 1.19 . . . . 0.0 109.396 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.909 HG23 ' CG2' ' A' ' 28' ' ' VAL . 7.2 pt -128.39 162.34 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.855 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -149.84 151.17 33.08 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.544 1.153 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.92 HG13 HG13 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -133.5 146.71 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 3.1 p-10 -136.47 132.86 35.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.636 HG22 HG22 ' A' ' 67' ' ' ILE . 58.3 p -106.75 165.72 11.11 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.416 1.073 . . . . 0.0 110.404 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -116.78 -82.03 0.9 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.607 1.192 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -130.9 105.73 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.443 ' O ' ' O ' ' A' ' 84' ' ' ASP . 1.4 m-85 -60.73 161.44 7.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.888 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -45.4 172.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.9 p -108.22 -63.38 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.41 -27.44 61.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.888 ' HB3' ' CB ' ' A' ' 84' ' ' ASP . . . -69.4 125.86 27.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.118 . . . . 0.0 109.365 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.4 m-20 -61.76 107.48 0.84 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -49.59 -25.43 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 mp -76.33 -35.29 58.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -75.37 -51.79 12.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' A' ' 89' ' ' LYS . 4.1 m -54.83 -34.47 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.7 t -58.17 -44.48 87.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.365 1.041 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.9 mmm-85 -63.36 -31.46 72.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.191 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.1 m -85.3 -26.18 26.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.47 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.588 ' HB2' HD11 ' A' ' 64' ' ' ILE . 43.4 t80 -74.49 -55.63 5.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -58.41 -39.02 78.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -54.98 -38.73 68.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 0.0 109.39 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.647 ' CE1' HD22 ' A' ' 103' ' ' LEU . 6.6 t80 -75.75 -38.86 58.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.562 HD12 HG21 ' A' ' 78' ' ' VAL . 15.2 mm -68.96 -52.49 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' GLY . 86.6 mt-10 -49.76 -27.57 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 110.349 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.43 -27.19 24.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.647 HD22 ' CE1' ' A' ' 99' ' ' PHE . 3.5 mp -89.19 -15.0 34.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.823 HG22 HD11 ' A' ' 76' ' ' ILE . 22.5 p -113.17 -33.74 5.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.472 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.578 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 73.87 2.05 60.46 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.401 1.063 . . . . 0.0 111.059 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.602 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 3.6 m-85 -106.99 128.48 54.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 p -92.52 170.82 9.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.948 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.22 -22.4 62.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.392 1.058 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -51.25 35.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.602 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 13.8 pt-20 -76.0 -40.39 53.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -50.46 -37.63 39.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 110.343 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -17.47 9.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 110' ' ' GLU . 6.3 mmtt -55.48 -38.88 69.69 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -82.44 -1.76 51.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.51 -22.08 13.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 1.069 . . . . 0.0 110.993 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.79 99.93 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.089 . . . . 0.0 110.476 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.73 40.84 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.592 1.183 . . . . 0.0 109.299 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.468 ' CG ' ' O ' ' A' ' 78' ' ' VAL . 1.2 ttt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.508 0.194 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.6 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -121.44 143.21 49.37 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HG3' ' CE ' ' A' ' 23' ' ' MET . 1.0 OUTLIER -106.28 126.76 52.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.359 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.981 ' CE2' HG21 ' A' ' 100' ' ' ILE . 76.1 m-85 -115.13 143.74 30.83 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.535 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.4 Cg_endo -74.92 -174.5 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.612 1.849 . . . . 0.0 111.053 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.832 HG23 HG23 ' A' ' 76' ' ' ILE . 1.7 t -131.51 142.7 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.581 1.176 . . . . 0.0 109.39 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.522 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -94.47 143.61 26.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -67.41 99.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.7 -43.0 1.36 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 3.2 m-85 -48.37 157.69 0.67 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.446 0.733 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.434 ' CB ' ' HB2' ' A' ' 38' ' ' SER . 18.4 Cg_endo -75.01 136.97 21.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.7 p -128.79 33.15 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.43 162.21 24.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 6.9 m-85 -68.23 -48.6 64.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -52.43 65.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 33' ' ' PRO . 80.8 p -49.93 -52.91 29.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.596 1.185 . . . . 0.0 110.03 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.46 -40.76 89.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 109.409 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.724 ' HG2' HG21 ' A' ' 50' ' ' VAL . 5.6 mtpm? -53.06 -45.38 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.572 1.17 . . . . 0.0 109.297 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' GLU . 1.9 mpt_? -68.7 -35.18 76.84 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.407 1.067 . . . . 0.0 110.373 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -64.73 -39.35 93.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.926 ' HA ' HD23 ' A' ' 46' ' ' LEU . 37.0 mt -64.69 -50.32 76.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -71.2 -25.23 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.048 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' ARG . 1.1 mm-40 -77.94 -20.96 51.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.926 HD23 ' HA ' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -92.26 -19.76 21.84 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.148 . . . . 0.0 109.371 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.07 21.22 7.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.433 1.083 . . . . 0.0 111.026 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.923 ' CD2' HD21 ' A' ' 46' ' ' LEU . 11.7 m-30 -112.04 178.03 4.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.37 160.9 22.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 0.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.724 HG21 ' HG2' ' A' ' 40' ' ' LYS . 2.4 p -140.4 130.5 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -111.28 144.56 40.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.6 m -107.94 98.66 8.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.952 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -101.54 89.76 3.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.337 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.27 -111.12 3.22 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.507 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -115.8 -1.13 12.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.542 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -96.59 159.79 14.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.661 HD11 ' HG3' ' A' ' 40' ' ' LYS . 1.2 tt -110.36 141.25 26.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.08 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 14.2 mm -124.56 128.55 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.93 135.51 39.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.22 96.8 6.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.821 HG22 ' CD2' ' A' ' 48' ' ' PHE . 10.4 pt -119.43 152.79 53.33 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.185 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 133.32 16.49 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.441 1.758 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.02 -24.85 30.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.755 HD13 ' CD1' ' A' ' 61' ' ' ILE . 3.4 mp -107.07 148.38 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.9 t -83.3 -62.23 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.405 1.066 . . . . 0.0 110.048 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.88 141.41 18.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 110.367 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.754 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -141.52 151.38 19.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.802 ' C ' HD13 ' A' ' 69' ' ' ILE . 8.9 mt-10 -110.22 142.19 42.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.802 HD13 ' C ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -127.31 136.68 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.227 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -138.49 91.25 12.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.53 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.7 Cg_endo -74.94 135.61 19.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.486 1.782 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -134.4 147.7 50.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.218 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -54.76 -31.61 58.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.159 . . . . 0.0 109.356 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.23 -69.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.301 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -146.5 178.94 7.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 1.045 HD11 HG22 ' A' ' 104' ' ' THR . 4.0 pt -124.59 157.82 32.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.822 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -139.12 152.96 47.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 24' ' ' ARG . 4.8 m -123.78 138.74 52.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -129.27 115.35 17.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.0 p -99.13 173.3 6.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -126.46 -74.56 0.21 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -139.51 135.89 33.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.417 0.716 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 84' ' ' ASP . 1.3 m-85 -91.56 161.78 14.8 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.416 1.072 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' A' ' 83' ' ' TYR . 2.4 m-20 -48.65 179.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.04 -55.33 2.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.04 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -101.04 48.5 0.89 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -128.81 130.32 46.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.55 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 3.1 m-20 -51.56 107.04 0.16 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.478 ' HA ' HG22 ' A' ' 92' ' ' VAL . 22.9 mttp -48.21 -26.55 1.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.422 HD23 HH12 ' A' ' 94' ' ' ARG . 0.4 OUTLIER -77.42 -47.84 18.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -61.34 -52.88 62.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 89' ' ' LYS . 23.3 m -53.43 -44.25 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.61 -37.91 75.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.488 ' HA ' ' ND2' ' A' ' 97' ' ' ASN . 5.8 mmt85 -65.51 -34.82 79.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 m -85.83 -25.26 26.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.569 ' HB2' HD11 ' A' ' 64' ' ' ILE . 65.1 t80 -80.97 -51.68 8.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.504 ' OD1' ' C ' ' A' ' 97' ' ' ASN . 0.9 OUTLIER -65.96 -37.02 84.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 17.9 t70 -63.91 -39.52 94.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.536 1.147 . . . . 0.0 109.367 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.697 ' CE2' HD22 ' A' ' 103' ' ' LEU . 39.6 t80 -64.94 -48.82 72.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.981 HG21 ' CE2' ' A' ' 26' ' ' TYR . 14.9 mm -65.46 -42.52 93.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -51.98 -35.6 46.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.239 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.36 -28.28 31.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.697 HD22 ' CE2' ' A' ' 99' ' ' PHE . 4.5 mp -81.13 -17.2 50.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.216 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 1.045 HG22 HD11 ' A' ' 76' ' ' ILE . 66.7 p -108.63 -37.33 5.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.587 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 89.31 -30.11 5.76 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.535 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 4.1 m-85 -72.76 126.95 31.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.04 169.87 10.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.91 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.7 -22.88 66.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.4 ttmm -69.4 -50.28 47.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.411 1.07 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.44 ' CD ' ' HA ' ' A' ' 106' ' ' TYR . 16.0 pt-20 -80.93 -31.42 35.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -47.47 59.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -37.42 77.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 18.2 mttt -51.05 -33.64 26.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 85.2 mmm -67.3 -48.24 68.2 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.387 1.054 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.5 ttm -57.82 -37.34 73.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.4 p -110.56 76.61 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.333 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -82.9 -10.68 58.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.438 0.161 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.503 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 3.2 mmp_? -95.98 142.98 27.57 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.458 1.099 . . . . 0.0 110.147 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.71 123.96 47.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.442 ' CD2' HG21 ' A' ' 100' ' ' ILE . 16.2 m-85 -119.46 146.87 42.14 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.537 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.4 Cg_endo -74.99 170.0 21.39 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.786 HG21 HG22 ' A' ' 34' ' ' THR . 14.9 p -129.27 119.68 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.597 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -60.86 146.14 47.55 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -70.97 106.98 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 124.32 -45.1 1.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.599 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 3.7 m-85 -42.62 165.28 0.1 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.547 0.793 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.45 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.6 Cg_endo -74.93 130.3 13.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.781 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.786 HG22 HG21 ' A' ' 28' ' ' VAL . 15.5 p -130.22 27.05 5.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -120.84 145.64 47.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.523 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 8.6 m-85 -49.97 -54.87 17.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -60.01 -48.86 79.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.45 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 4.6 m -50.44 -52.9 33.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.787 HG22 HD11 ' A' ' 43' ' ' ILE . 55.2 mt -65.01 -37.81 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.682 ' CG ' HG11 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -54.83 -39.36 68.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.3 mpt_? -76.98 -35.58 57.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.595 1.184 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -33.99 76.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.88 ' HA ' HD23 ' A' ' 46' ' ' LEU . 17.9 mt -68.07 -51.39 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -70.99 -31.39 67.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.014 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 2.5 mm-40 -66.72 -21.87 66.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.248 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.048 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -89.98 -24.7 21.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 109.284 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.97 27.23 3.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.429 1.081 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 1.048 ' CE2' HD11 ' A' ' 46' ' ' LEU . 15.1 m-30 -118.08 177.84 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 111.048 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.2 OUTLIER -116.57 162.01 18.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.682 HG11 ' CG ' ' A' ' 40' ' ' LYS . 2.1 p -142.38 129.3 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -109.43 143.43 39.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.229 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -104.35 102.96 12.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.02 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -104.9 115.11 29.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 53.65 -107.84 0.69 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.473 ' C ' HD23 ' A' ' 56' ' ' LEU . 65.0 m-20 -117.13 -2.18 11.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 0.793 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.53 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -95.69 161.94 13.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.523 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -111.13 143.08 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.324 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.504 ' O ' HG23 ' A' ' 50' ' ' VAL . 7.3 mm -123.68 137.5 56.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.379 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -107.98 141.93 38.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -111.94 100.72 9.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.684 ' CD1' HD13 ' A' ' 64' ' ' ILE . 11.5 pt -121.07 156.29 57.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.548 ' HD3' ' CE1' ' A' ' 48' ' ' PHE . 18.3 Cg_endo -75.01 131.26 14.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.57 -26.51 24.31 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.134 . . . . 0.0 110.961 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.684 HD13 ' CD1' ' A' ' 61' ' ' ILE . 4.1 mp -108.37 140.75 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.96 -62.74 1.4 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.554 1.159 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.51 140.93 17.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.673 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -137.32 151.01 26.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 0.0 109.352 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 7.3 mt-10 -106.64 137.18 45.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.278 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.506 HD13 HG13 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -119.24 138.65 49.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.473 ' CB ' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -135.22 88.35 26.09 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 134.71 18.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.442 1.759 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 75' ' ' LYS . 1.6 t0 -138.59 148.0 43.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -56.41 -30.02 62.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.412 ' N ' ' HG2' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -80.53 -64.89 1.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.276 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -150.64 -174.38 4.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.927 HD11 HG22 ' A' ' 104' ' ' THR . 1.7 pt -134.45 156.8 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.924 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -142.23 155.06 45.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.506 HG13 HD13 ' A' ' 69' ' ' ILE . 2.0 t -133.14 149.05 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -131.94 133.91 45.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.1 p -110.02 138.57 46.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.378 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -96.24 -93.59 1.8 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.89 110.51 17.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 84' ' ' ASP . 1.2 m-85 -67.06 160.84 25.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 111.026 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.913 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -44.15 168.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.13 -53.81 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.037 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.32 -23.68 40.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.913 ' HB3' ' CB ' ' A' ' 84' ' ' ASP . . . -78.48 127.89 32.81 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.585 ' O ' HG13 ' A' ' 92' ' ' VAL . 12.1 m-20 -61.24 106.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.423 1.077 . . . . 0.0 109.191 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.952 ' O ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -49.04 -30.17 5.93 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.441 1.088 . . . . 0.0 109.379 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.9 tp -76.37 -34.13 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -75.24 -52.47 10.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.406 1.066 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 88' ' ' ASP . 2.8 m -53.37 -31.24 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.952 HG23 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -55.82 -40.7 63.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.382 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.492 ' CD ' ' C ' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -62.68 -31.11 71.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.432 1.082 . . . . 0.0 110.385 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 23.5 m -85.87 -30.54 22.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 1.046 . . . . 0.0 110.353 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.572 ' HB2' HD11 ' A' ' 64' ' ' ILE . 82.4 t80 -68.42 -45.82 71.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -69.49 -38.55 77.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -55.41 -37.71 67.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.389 1.056 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.543 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 11.1 t80 -72.54 -52.73 14.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.442 HG21 ' CD2' ' A' ' 26' ' ' TYR . 30.7 mm -58.58 -34.38 51.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 105' ' ' GLY . 24.9 tt0 -55.88 -43.14 76.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.233 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.08 -17.83 30.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.073 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.738 HD11 HG23 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -80.22 -28.81 38.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.248 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.927 HG22 HD11 ' A' ' 76' ' ' ILE . 71.6 p -112.38 -34.58 5.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.103 . . . . 0.0 110.386 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.599 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 92.71 -25.48 18.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.605 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 12.4 m-85 -79.48 125.11 29.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.735 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -83.49 160.87 21.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 111' ' ' ARG . . . -64.54 -21.09 66.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -45.69 56.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.605 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 14.3 pt-20 -80.4 -32.76 37.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.528 ' C ' ' CD ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -50.99 -35.7 35.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.49 ' N ' ' HG3' ' A' ' 111' ' ' ARG . 0.1 OUTLIER -51.95 -22.86 4.27 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -46.37 -35.03 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.7 mtm -64.62 -36.39 84.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -78.18 -47.16 18.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.646 1.216 . . . . 0.0 111.022 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 87.4 m -110.3 86.62 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.64 166.72 13.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.246 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.453 ' HE2' ' HB2' ' A' ' 79' ' ' ASN . 1.9 ttt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.477 0.18 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' HD2' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -109.78 142.91 40.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.084 . . . . 0.0 110.335 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.97 124.23 47.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.58 ' HB3' HG21 ' A' ' 104' ' ' THR . 50.1 m-85 -115.91 139.54 25.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.947 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.545 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.01 164.95 32.32 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.695 ' CG2' HG23 ' A' ' 76' ' ' ILE . 6.7 t -121.37 135.14 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -80.27 143.55 33.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 3.8 ttmt -65.76 107.71 1.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 121.26 -41.3 1.92 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 2.6 m-85 -47.82 162.35 0.32 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.591 0.818 . . . . 0.0 111.044 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.3 Cg_endo -75.08 131.36 14.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.812 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 p -133.48 26.53 4.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.41 144.43 45.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.573 ' CE1' ' HD2' ' A' ' 71' ' ' PRO . 7.7 m-85 -48.84 -54.57 14.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -57.78 -47.09 83.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 109.381 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.42 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 61.9 m -52.82 -52.89 55.22 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.438 1.087 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.808 HG22 HD11 ' A' ' 43' ' ' ILE . 11.5 mt -64.28 -37.84 80.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.941 ' HG2' HG21 ' A' ' 50' ' ' VAL . 7.7 mttm -53.35 -41.82 66.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -77.24 -32.53 55.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -66.4 -38.84 88.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.808 HD11 HG22 ' A' ' 39' ' ' ILE . 9.3 mt -63.44 -55.05 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.166 . . . . 0.0 109.236 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.9 t -65.77 -34.83 79.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.41 -31.62 66.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.039 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -83.62 -25.26 30.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.77 33.54 1.86 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 1.039 ' CE2' HD11 ' A' ' 46' ' ' LEU . 11.1 m-30 -119.5 178.29 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.5 162.29 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.941 HG21 ' HG2' ' A' ' 40' ' ' LYS . 2.7 p -139.59 129.01 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.389 1.056 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -111.73 144.54 40.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.88 114.53 28.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.037 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -114.65 91.6 3.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.51 -104.52 1.38 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.435 1.084 . . . . 0.0 110.976 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.491 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -118.17 -1.71 11.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.756 . . . . 0.0 109.356 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.526 ' N ' HD23 ' A' ' 56' ' ' LEU . 3.0 mt -96.41 158.78 15.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.557 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 0.6 OUTLIER -107.18 138.42 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.495 HD13 ' HG3' ' A' ' 68' ' ' GLU . 6.3 mm -120.37 137.09 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.469 ' HB3' ' CG1' ' A' ' 67' ' ' ILE . . . -106.14 147.22 29.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.56 106.86 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.026 HD11 HD13 ' A' ' 64' ' ' ILE . 7.1 pt -129.95 152.73 80.44 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 136.17 20.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.438 1.757 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' HA3' HG12 ' A' ' 92' ' ' VAL . . . 97.61 -26.22 24.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.458 1.099 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 1.026 HD13 HD11 ' A' ' 61' ' ' ILE . 1.6 mp -108.02 147.25 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.356 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.7 m -79.85 -62.19 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.097 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.3 144.57 21.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.562 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -137.32 149.7 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.232 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.602 ' C ' HD12 ' A' ' 69' ' ' ILE . 4.6 mt-10 -115.2 136.6 52.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.205 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.666 HG13 HG13 ' A' ' 78' ' ' VAL . 3.3 mp -128.27 144.59 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.351 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 2.0 mppt? -135.33 91.41 18.96 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -74.91 126.02 9.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.778 . . . . 0.0 111.085 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.4 152.63 48.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -54.01 -36.6 63.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -67.97 0.47 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 1.147 . . . . 0.0 110.234 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.39 -177.92 6.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 109.347 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.838 ' C ' HD13 ' A' ' 77' ' ' LEU . 6.8 pt -125.45 160.2 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.246 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.838 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -147.12 152.47 38.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.813 HG21 HD12 ' A' ' 100' ' ' ILE . 3.2 t -133.35 149.18 31.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.453 ' HB2' ' HE2' ' A' ' 23' ' ' MET . 4.6 t-20 -134.48 123.42 23.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.4 p -95.85 133.88 39.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.21 -89.12 0.06 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.528 1.142 . . . . 0.0 111.051 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.76 107.85 4.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 0.732 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -63.86 155.09 31.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.437 ' HB2' ' HB3' ' A' ' 87' ' ' ALA . 1.1 m-20 -69.09 112.8 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.389 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.95 -29.67 68.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.927 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.04 19.2 5.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 84' ' ' ASP . . . -128.62 135.6 49.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.837 ' O ' HG22 ' A' ' 92' ' ' VAL . 13.0 m-20 -51.15 105.16 0.09 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.396 1.06 . . . . 0.0 109.39 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.532 ' HA ' ' CG2' ' A' ' 92' ' ' VAL . 2.4 mttt -58.98 -23.05 61.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 94' ' ' ARG . 7.0 mp -77.92 -49.53 14.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -54.67 -54.42 41.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 88' ' ' ASP . 2.6 m -55.12 -42.18 63.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.53 -36.92 77.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' LEU . 9.7 mmt180 -66.82 -39.4 87.68 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.617 1.198 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.7 m -83.15 -28.92 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 110.443 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 92' ' ' VAL . 40.1 t80 -77.53 -34.31 53.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -66.42 -44.74 82.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -56.36 -37.29 69.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.752 ' CE1' HD22 ' A' ' 103' ' ' LEU . 25.7 t80 -69.08 -41.01 78.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.408 1.068 . . . . 0.0 111.029 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.813 HD12 HG21 ' A' ' 78' ' ' VAL . 22.5 mm -73.86 -43.06 53.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.8 OUTLIER -56.32 -32.54 64.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.95 -27.81 26.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.368 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.752 HD22 ' CE1' ' A' ' 99' ' ' PHE . 2.9 mp -83.79 -17.39 41.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.78 HG22 HD11 ' A' ' 76' ' ' ILE . 77.2 p -109.94 -40.91 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.427 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.587 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 87.47 -18.03 40.31 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.577 1.173 . . . . 0.0 111.056 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.622 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 4.0 m-85 -88.68 126.13 35.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 0.739 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.97 161.75 21.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.051 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.425 ' HA ' ' HB3' ' A' ' 111' ' ' ARG . . . -65.73 -21.77 66.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.404 1.065 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -73.42 -46.43 48.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.622 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 12.7 pt-20 -78.06 -33.24 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.475 ' O ' ' CG ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -50.28 -36.51 31.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -24.87 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.365 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 110' ' ' GLU . 2.8 mmmt -53.56 -44.53 69.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -65.35 -12.71 54.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 111.078 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.425 ' C ' HG23 ' A' ' 116' ' ' THR . 1.1 tmm? -99.02 -30.14 12.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.425 HG23 ' C ' ' A' ' 115' ' ' MET . 29.5 p -152.28 95.26 2.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.79 -47.77 30.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.369 179.939 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.473 ' CG ' ' HB2' ' A' ' 79' ' ' ASN . 1.9 ttm . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.503 0.192 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -117.54 158.7 24.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -139.08 119.83 14.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.357 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.49 ' CE2' HG21 ' A' ' 100' ' ' ILE . 38.9 m-85 -124.39 143.02 41.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.563 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.5 Cg_endo -74.85 170.66 19.88 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.807 . . . . 0.0 111.021 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.568 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.5 t -124.25 128.74 74.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.417 1.073 . . . . 0.0 109.288 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.595 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -71.75 147.07 47.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -66.17 103.81 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.393 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 117.36 -37.27 3.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.595 ' CD1' ' HB3' ' A' ' 29' ' ' LYS . 1.1 m-85 -49.29 159.76 0.6 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 111.051 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 126.74 10.19 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.508 1.794 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 34' ' ' THR . 5.5 t -136.5 33.81 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.41 152.5 47.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.576 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 18.3 m-85 -51.75 -54.76 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' NE ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -59.28 -51.89 68.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -52.76 33.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.671 HG22 HD11 ' A' ' 43' ' ' ILE . 63.5 mt -65.76 -42.21 91.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.855 ' HG2' HG21 ' A' ' 50' ' ' VAL . 7.5 mttp -51.96 -50.37 61.37 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.439 ' NE ' ' OD1' ' A' ' 37' ' ' ASP . 1.2 mpt_? -66.11 -34.02 77.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 110.372 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -67.09 -41.42 86.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.227 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.879 ' HA ' HD23 ' A' ' 46' ' ' LEU . 17.8 mt -59.73 -53.73 44.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.394 1.059 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.1 t -67.21 -39.24 86.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.045 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -26.98 61.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.246 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.016 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -86.48 -26.27 24.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.82 30.37 2.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 1.016 ' CE2' HD11 ' A' ' 46' ' ' LEU . 13.1 m-30 -119.16 174.91 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 111.075 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.16 162.42 15.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.372 1.045 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.855 HG21 ' HG2' ' A' ' 40' ' ' LYS . 2.5 p -141.29 128.14 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -109.35 144.19 37.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.39 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.1 p -103.5 103.7 13.69 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.465 1.103 . . . . 0.0 109.976 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.22 93.88 5.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.05 -102.97 0.91 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.416 ' C ' HD23 ' A' ' 56' ' ' LEU . 5.0 m-20 -118.62 -3.84 10.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.8 . . . . 0.0 109.396 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.547 HD13 ' HE3' ' A' ' 70' ' ' LYS . 3.7 mt -95.0 159.91 14.81 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.642 HD11 ' HG3' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -110.71 141.4 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 5.9 mm -124.0 142.18 41.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.22 146.12 36.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.486 1.117 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.69 102.02 9.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.074 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.928 HD11 HD13 ' A' ' 64' ' ' ILE . 12.0 pt -124.32 151.81 66.95 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.252 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 133.9 17.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.568 1.825 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.3 -25.97 26.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.571 1.169 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.928 HD13 HD11 ' A' ' 61' ' ' ILE . 2.7 mp -107.87 150.0 10.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.513 0.773 . . . . 0.0 109.269 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.7 t -81.94 -62.72 1.55 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.4 1.062 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 -155.48 146.89 22.84 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.491 HG23 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -139.64 150.31 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.713 ' C ' HD12 ' A' ' 69' ' ' ILE . 4.5 mt-10 -111.67 135.97 51.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.86 HG13 HG13 ' A' ' 78' ' ' VAL . 2.6 mp -129.89 144.44 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.547 ' HE3' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -141.37 92.28 8.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.366 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.2 Cg_endo -74.98 131.98 14.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.21 154.77 47.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -52.7 -40.62 63.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.4 1.062 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.99 -74.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.365 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.85 -168.4 2.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.824 HD11 HG22 ' A' ' 104' ' ' THR . 9.5 pt -130.68 163.27 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.618 1.199 . . . . 0.0 109.258 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.82 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -145.91 153.5 40.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.86 HG13 HG13 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -132.82 147.83 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.473 ' HB2' ' CG ' ' A' ' 23' ' ' MET . 27.7 t30 -135.84 124.97 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.2 p -112.2 -177.92 3.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -125.97 -117.28 2.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.587 1.179 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.89 123.8 48.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.457 ' CD2' HG21 ' A' ' 92' ' ' VAL . 2.6 m-30 -84.25 154.24 23.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -67.96 106.75 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.72 -32.82 53.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.562 1.164 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -37.84 88.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.96 131.82 35.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 91' ' ' ALA . 6.2 m-20 -53.39 106.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.518 ' HA ' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -48.89 -26.22 2.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.404 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 mp -77.25 -38.26 51.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.595 1.184 . . . . 0.0 109.354 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -68.76 -52.57 29.08 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.445 1.09 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.518 HG22 ' HA ' ' A' ' 89' ' ' LYS . 34.4 m -53.52 -47.94 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.447 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 2.2 t -65.02 -33.03 60.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.373 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.472 ' HA ' ' ND2' ' A' ' 97' ' ' ASN . 0.2 OUTLIER -67.86 -37.62 82.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.267 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 m -86.59 -30.14 22.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.17 . . . . 0.0 110.358 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.413 ' O ' ' HB3' ' A' ' 99' ' ' PHE . 17.2 t80 -75.7 -55.31 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.541 ' C ' ' OD1' ' A' ' 97' ' ' ASN . 1.3 p30 -56.37 -31.84 64.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.462 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.2 OUTLIER -65.52 -40.39 92.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.77 ' CE1' HD22 ' A' ' 103' ' ' LEU . 1.9 t80 -66.98 -32.54 73.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 104' ' ' THR . 29.2 mm -81.34 -36.98 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.3 tt0 -54.79 -33.26 61.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -86.31 -24.93 25.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.77 HD22 ' CE1' ' A' ' 99' ' ' PHE . 1.6 mp -81.95 -20.03 39.46 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.65 1.218 . . . . 0.0 109.28 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.824 HG22 HD11 ' A' ' 76' ' ' ILE . 70.0 p -112.34 -49.21 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.338 1.024 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.592 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 94.28 -20.21 49.19 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.606 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 6.7 m-85 -84.44 125.03 31.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 110.93 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.34 159.4 21.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.405 1.065 . . . . 0.0 110.041 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 111' ' ' ARG . . . -63.17 -21.12 66.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -45.94 54.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.397 1.061 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.606 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 12.9 pt-20 -80.81 -32.3 35.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 110.245 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.531 ' C ' ' CD ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -50.61 -35.82 32.1 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.509 ' N ' ' HG3' ' A' ' 111' ' ' ARG . 60.3 tttt -78.09 -38.15 44.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -48.62 -47.63 39.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.394 1.059 . . . . 0.0 109.313 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.473 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 11.4 ptm -69.34 -22.23 63.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.512 1.133 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -82.88 -45.18 14.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.3 p -91.81 131.41 37.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -57.45 132.58 53.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.54 0.21 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -101.36 134.8 43.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -105.05 121.37 43.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.715 ' CD2' HG21 ' A' ' 100' ' ' ILE . 34.2 m-85 -115.56 149.79 43.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.446 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.07 172.06 17.09 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.62 1.853 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.84 ' CG2' HG23 ' A' ' 76' ' ' ILE . 2.4 t -121.95 149.32 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HB3' ' CG ' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -98.42 146.43 25.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.226 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -69.67 118.16 12.19 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.418 1.074 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 109.88 -41.58 2.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CE2' ' HA3' ' A' ' 105' ' ' GLY . 3.6 m-85 -48.1 161.5 0.37 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 111.071 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.0 Cg_endo -74.97 128.3 11.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.0 p -123.95 24.39 8.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.43 144.76 50.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.58 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 9.8 m-85 -46.9 -55.94 7.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.9 -52.25 66.22 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.42 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -51.46 -52.37 47.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 110.011 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.873 HG23 HD11 ' A' ' 103' ' ' LEU . 6.8 mt -64.82 -37.8 81.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.716 ' HG2' HG11 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -52.93 -37.5 60.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.511 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 2.3 mpt_? -76.22 -36.45 58.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.355 1.034 . . . . 0.0 110.259 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -33.35 75.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 109.391 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.839 ' HA ' HD23 ' A' ' 46' ' ' LEU . 21.4 mt -70.2 -53.61 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.9 t -69.29 -26.67 64.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 41' ' ' ARG . 1.8 mm-40 -67.38 -30.12 69.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 0.0 110.36 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.07 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -81.68 -24.5 36.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.68 32.19 2.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.337 1.023 . . . . 0.0 111.034 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 1.07 ' CE2' HD11 ' A' ' 46' ' ' LEU . 11.8 m-30 -119.14 179.0 4.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 110.984 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.4 OUTLIER -122.01 162.47 21.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.716 HG11 ' HG2' ' A' ' 40' ' ' LYS . 2.6 p -139.37 138.85 39.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -114.32 144.79 42.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.0 115.82 30.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' CD ' ' NH1' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -121.61 91.79 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.86 -105.33 1.52 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.131 . . . . 0.0 111.105 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -119.64 -1.49 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 56' ' ' LEU . 6.2 mt -95.22 155.85 16.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.614 HD11 ' HG3' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -105.85 133.56 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.361 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 50' ' ' VAL . 21.1 mm -117.58 128.05 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.45 145.49 26.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -111.87 95.7 5.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.87 HD11 HD13 ' A' ' 64' ' ' ILE . 19.3 pt -119.38 157.04 52.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 133.5 16.59 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.594 1.839 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.07 -25.65 27.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.87 HD13 HD11 ' A' ' 61' ' ' ILE . 3.4 mp -108.47 149.94 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.498 0.763 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.5 t -90.79 -55.55 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.006 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.437 ' NH1' ' CD ' ' A' ' 53' ' ' GLU . 28.0 mtt180 -156.68 141.76 17.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.832 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -142.78 153.77 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.393 1.058 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.583 ' C ' HD12 ' A' ' 69' ' ' ILE . 8.9 mt-10 -111.47 135.66 51.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.806 HG13 HG13 ' A' ' 78' ' ' VAL . 2.3 mp -125.14 145.01 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -141.24 94.99 7.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.56 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.0 Cg_endo -75.11 127.99 11.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.97 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.42 156.6 43.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -56.73 -43.04 80.27 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -71.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.3 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.45 -173.46 4.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.84 HG23 ' CG2' ' A' ' 28' ' ' VAL . 4.7 pt -126.07 160.38 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.831 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -141.86 154.44 45.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.806 HG13 HG13 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -132.76 147.42 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -133.69 120.61 20.84 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.442 ' HA ' HG22 ' A' ' 67' ' ' ILE . 20.9 p -91.97 124.55 36.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.376 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.2 -65.59 1.03 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -135.02 149.43 50.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.477 ' CE2' HG23 ' A' ' 92' ' ' VAL . 1.7 m-85 -123.57 161.12 25.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' TYR . 0.8 OUTLIER -37.43 145.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.36 -20.86 26.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -99.23 -64.09 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.487 ' HB1' ' CG1' ' A' ' 92' ' ' VAL . . . -49.56 141.9 8.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 124.434 1.084 . . . . 0.0 109.381 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 91' ' ' ALA . 29.9 m-20 -70.55 114.63 8.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.945 ' O ' HG23 ' A' ' 93' ' ' VAL . 9.6 pttp -48.14 -31.03 5.12 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 tp -77.05 -32.48 56.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 88' ' ' ASP . . . -75.74 -49.24 18.78 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' ' 89' ' ' LYS . 10.8 m -60.22 -30.02 45.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.3 t -51.09 -36.87 16.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -28.53 69.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.4 m -86.57 -35.17 19.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.689 ' HB2' HD11 ' A' ' 64' ' ' ILE . 59.6 t80 -60.27 -45.76 92.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -69.41 -35.92 76.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -55.44 -39.99 70.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.441 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 6.9 t80 -64.14 -53.09 55.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.715 HG21 ' CD2' ' A' ' 26' ' ' TYR . 29.4 mm -61.71 -32.7 54.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.5 OUTLIER -55.95 -46.16 78.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -83.67 -22.42 32.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.873 HD11 HG23 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -72.2 -44.82 62.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.228 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.676 ' CG2' HD11 ' A' ' 76' ' ' ILE . 46.3 p -96.99 -39.89 9.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.447 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.587 ' HA3' ' CE2' ' A' ' 32' ' ' PHE . . . 93.68 -2.03 69.5 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.448 1.093 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.563 ' CD2' ' OE1' ' A' ' 110' ' ' GLU . 4.5 m-85 -95.14 129.48 42.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.465 0.744 . . . . 0.0 111.078 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.37 174.8 7.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.56 -23.64 61.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -68.09 -49.29 62.17 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.563 ' OE1' ' CD2' ' A' ' 106' ' ' TYR . 15.2 pt-20 -79.17 -31.78 44.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.448 1.093 . . . . 0.0 110.37 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.455 ' O ' ' CG ' ' A' ' 114' ' ' MET . 49.0 ttp85 -50.61 -31.6 16.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -67.69 -28.03 67.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -53.09 -43.99 67.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.455 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -64.77 -13.98 57.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 0.0 110.954 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.6 -41.01 10.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 113' ' ' LYS . 12.9 t -96.55 152.67 18.41 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.512 1.132 . . . . 0.0 110.421 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -74.34 150.04 40.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.2 ttm . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.523 0.201 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.9 128.16 53.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.22 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -91.45 125.47 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.424 ' CG ' HG21 ' A' ' 100' ' ' ILE . 74.8 m-85 -112.25 150.4 42.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.45 ' O ' HG22 ' A' ' 104' ' ' THR . 18.4 Cg_endo -75.06 168.53 24.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.57 1.826 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 75' ' ' LYS . 7.3 p -134.63 139.22 48.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.1 OUTLIER -81.73 146.32 30.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.27 127.4 32.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 101.82 -39.6 2.7 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.543 1.152 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.709 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 2.6 m-85 -47.91 165.5 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.597 0.822 . . . . 0.0 111.019 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 132.25 15.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.425 1.75 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.5 p -135.01 31.0 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.075 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.22 148.71 43.33 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.546 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 12.3 m-85 -52.03 -53.08 46.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.414 ' O ' ' CD ' ' A' ' 41' ' ' ARG . 0.3 OUTLIER -63.27 -50.93 68.19 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.383 1.052 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 m -49.42 -52.31 29.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.627 HG22 HD11 ' A' ' 43' ' ' ILE . 66.9 mt -69.8 -36.1 68.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.37 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.527 ' CG ' HG11 ' A' ' 50' ' ' VAL . 9.2 ttmt -53.23 -37.17 61.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.414 ' CD ' ' O ' ' A' ' 37' ' ' ASP . 1.8 mpt_? -77.08 -35.8 56.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -38.97 91.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.939 ' HA ' HD23 ' A' ' 46' ' ' LEU . 14.4 mt -62.18 -51.16 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.53 -35.15 72.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' ARG . 1.4 mt-10 -65.88 -21.13 66.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.064 HD21 ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -88.13 -25.05 23.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.337 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.51 26.01 4.11 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 1.064 ' CD2' HD21 ' A' ' 46' ' ' LEU . 16.0 m-30 -117.91 179.73 4.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.422 0.719 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.06 162.23 18.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.527 HG11 ' CG ' ' A' ' 40' ' ' LYS . 1.7 p -141.47 126.89 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -113.3 144.34 42.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -102.71 110.11 21.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.96 90.21 3.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.48 -109.77 2.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.047 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.532 ' C ' HD23 ' A' ' 56' ' ' LEU . 63.1 m-20 -115.17 -2.71 12.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 0.743 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.538 ' N ' HD23 ' A' ' 56' ' ' LEU . 2.3 mt -97.54 160.61 14.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.546 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.3 tt -109.98 137.5 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.44 ' CD1' ' HG3' ' A' ' 68' ' ' GLU . 20.6 mm -116.69 131.72 68.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.598 1.186 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.15 144.32 29.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.82 102.21 9.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.057 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.049 HD11 HD12 ' A' ' 64' ' ' ILE . 8.2 pt -126.24 153.14 74.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.182 . . . . 0.0 109.176 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 135.19 18.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.66 -24.63 31.42 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.478 1.111 . . . . 0.0 110.934 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 1.049 HD12 HD11 ' A' ' 61' ' ' ILE . 9.9 mt -106.91 160.94 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.503 0.767 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.408 ' N ' ' CG2' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -95.63 -62.87 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.002 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' HD3' HG21 ' A' ' 58' ' ' ILE . 15.2 mtt180 -155.26 140.31 17.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 110.29 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.486 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -142.05 147.42 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.525 ' C ' HD13 ' A' ' 69' ' ' ILE . 8.4 mt-10 -104.73 136.01 45.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.525 HD13 ' C ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -117.1 142.22 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.478 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -139.84 89.15 11.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 134.25 17.48 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.71 150.22 41.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.244 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 13.3 mptt -57.73 -37.28 73.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.5 mtt-85 -68.65 -64.54 0.85 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.646 1.216 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.696 ' HE2' HD12 ' A' ' 77' ' ' LEU . 1.5 pptp? -154.12 -166.08 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.228 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.832 ' C ' HD13 ' A' ' 77' ' ' LEU . 2.7 pt -138.91 158.56 29.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.832 HD13 ' C ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -148.37 152.11 36.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.36 1.037 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 100' ' ' ILE . 4.1 t -130.9 149.52 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -124.06 120.64 33.0 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.0 p -109.69 146.07 35.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.444 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.84 -87.93 1.63 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -144.29 106.45 4.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 0.795 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.566 ' OH ' HD11 ' A' ' 64' ' ' ILE . 3.2 m-30 -58.25 152.53 17.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.02 103.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.77 -35.0 29.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.96 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -63.07 -51.02 68.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.83 141.27 46.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.703 ' HB2' ' HB3' ' A' ' 91' ' ' ALA . 82.7 m-20 -60.28 103.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 1.001 ' O ' HG23 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -61.43 -28.49 69.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.385 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' A' ' 93' ' ' VAL . 5.2 tp -76.99 -30.69 56.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.703 ' HB3' ' HB2' ' A' ' 88' ' ' ASP . . . -76.99 -52.15 9.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.364 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 89' ' ' LYS . 31.4 m -54.63 -30.08 21.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 1.001 HG23 ' O ' ' A' ' 89' ' ' LYS . 4.4 t -50.97 -34.29 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -73.72 -28.57 61.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -85.11 -33.09 22.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -78.69 -32.91 47.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -71.49 -46.35 60.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -53.16 -36.26 60.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.65 ' CE1' HD22 ' A' ' 103' ' ' LEU . 17.5 t80 -65.43 -48.05 74.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 104' ' ' THR . 29.5 mm -69.67 -50.27 51.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 109.25 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 106' ' ' TYR . 21.8 tt0 -48.6 -31.23 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.294 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -85.32 -27.95 25.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.65 HD22 ' CE1' ' A' ' 99' ' ' PHE . 4.0 mp -86.13 -11.41 52.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 100' ' ' ILE . 17.1 p -103.63 -30.09 10.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.496 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.709 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 78.42 5.93 87.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.592 1.182 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.46 ' O ' ' CG ' ' A' ' 101' ' ' GLU . 6.7 m-85 -94.82 126.12 39.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 109' ' ' LYS . 4.8 t -103.68 168.64 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.46 -27.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 107' ' ' SER . 0.4 OUTLIER -53.48 -45.64 69.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 110' ' ' GLU . 1.1 mm-40 -79.27 -47.59 15.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.262 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.73 -25.13 1.66 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.585 1.178 . . . . 0.0 110.301 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 115' ' ' MET . 0.3 OUTLIER -84.72 -33.7 23.06 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 110' ' ' GLU . 0.8 OUTLIER -49.96 -25.67 3.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -22.91 21.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.467 ' N ' ' O ' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -90.03 -37.31 14.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 111.024 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.407 HG23 ' HG2' ' A' ' 115' ' ' MET . 16.0 p -141.45 112.91 7.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.26 -46.16 45.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.244 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.1 tmm? . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.512 0.196 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.62 151.95 27.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.642 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 25.8 mt-10 -121.23 165.29 15.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.642 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 47.5 m-85 -162.28 143.9 8.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HG2' ' CG ' ' A' ' 106' ' ' TYR . 18.3 Cg_endo -75.0 162.29 37.36 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.384 1.728 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.56 HG21 ' CG2' ' A' ' 34' ' ' THR . 13.4 p -117.22 139.37 44.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 32' ' ' PHE . 0.6 OUTLIER -85.16 144.89 27.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.226 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -67.81 98.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 129.03 -43.45 1.31 Allowed Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.689 ' CE2' ' CA ' ' A' ' 105' ' ' GLY . 3.0 m-85 -44.17 160.33 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.423 0.719 . . . . 0.0 111.035 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.414 ' CB ' ' HB3' ' A' ' 38' ' ' SER . 18.4 Cg_endo -74.96 139.03 23.91 Favored 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.406 1.74 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.56 ' CG2' HG21 ' A' ' 28' ' ' VAL . 25.8 p -136.57 31.87 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.6 142.97 51.37 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.527 1.142 . . . . 0.0 109.211 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.583 ' CE2' ' HB ' ' A' ' 57' ' ' ILE . 7.9 m-85 -47.49 -54.74 10.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.425 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -59.19 -48.94 79.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.22 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 33' ' ' PRO . 35.8 m -53.13 -53.2 54.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.959 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.771 HG22 HD11 ' A' ' 43' ' ' ILE . 16.5 mt -65.75 -41.44 90.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.632 ' HA ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -50.29 -46.47 55.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' GLU . 9.7 mpt_? -71.58 -36.49 70.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -64.15 -34.22 77.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.771 HD11 HG22 ' A' ' 39' ' ' ILE . 11.9 mt -68.54 -53.51 27.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.6 t -68.97 -29.2 67.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -63.24 -21.64 66.36 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.565 1.165 . . . . 0.0 110.232 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.085 HD11 ' CE2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -93.61 -24.49 17.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.21 34.29 1.82 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 1.085 ' CE2' HD11 ' A' ' 46' ' ' LEU . 10.6 m-30 -119.75 170.47 9.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.554 0.796 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.1 162.36 14.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 58' ' ' ILE . 2.4 p -142.31 133.87 25.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.228 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -111.3 144.55 40.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 109.293 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.6 m -112.23 98.26 7.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.494 ' CD ' HD11 ' A' ' 58' ' ' ILE . 5.5 pt-20 -100.34 90.26 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.04 -104.0 2.18 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.507 ' C ' HD23 ' A' ' 56' ' ' LEU . 83.1 m-20 -121.95 1.19 9.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.513 ' N ' HD23 ' A' ' 56' ' ' LEU . 4.3 mt -97.53 154.47 17.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.583 ' HB ' ' CE2' ' A' ' 36' ' ' TYR . 1.1 tt -109.06 139.04 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 50' ' ' VAL . 7.1 mm -122.46 138.2 53.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -102.92 139.88 37.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.22 96.08 6.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.783 ' CD1' HD13 ' A' ' 64' ' ' ILE . 15.2 pt -120.81 152.96 56.79 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.407 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 135.44 19.32 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.464 1.771 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.83 -26.08 25.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.783 HD13 ' CD1' ' A' ' 61' ' ' ILE . 3.7 mp -108.11 148.28 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.776 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.8 t -82.55 -62.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.071 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -155.0 140.5 17.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.611 HD12 HG21 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -140.08 148.41 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 58' ' ' ILE . 6.8 mt-10 -104.75 137.43 42.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.234 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.559 HD13 HG13 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -120.1 140.4 44.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -139.91 91.45 10.33 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.571 ' HD2' ' CE1' ' A' ' 36' ' ' TYR . 18.3 Cg_endo -75.01 131.45 14.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.552 1.817 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.64 150.89 49.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -57.19 -42.33 81.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -67.5 -62.64 1.32 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.113 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.857 ' HE3' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -153.2 -166.17 2.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.882 HD11 HG22 ' A' ' 104' ' ' THR . 0.8 OUTLIER -140.16 155.78 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.857 HD12 ' HE3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -141.03 155.38 46.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.559 HG13 HD13 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -132.96 145.97 33.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.128 . . . . 0.0 109.345 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -123.31 127.77 49.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.0 p -113.18 143.57 44.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.614 1.196 . . . . 0.0 110.445 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.35 -90.64 1.02 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.556 1.16 . . . . 0.0 110.945 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -143.71 113.53 7.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 0.741 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.479 ' OH ' ' CD1' ' A' ' 96' ' ' TYR . 2.8 m-85 -69.21 159.86 32.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.492 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -66.95 113.9 5.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -47.0 88.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.956 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -54.19 -41.02 68.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 84' ' ' ASP . . . -81.94 129.34 34.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.454 ' HB2' ' CB ' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -51.75 99.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.876 ' O ' HG23 ' A' ' 93' ' ' VAL . 2.4 mttt -50.69 -30.1 12.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.68 -32.64 60.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 88' ' ' ASP . . . -68.68 -52.06 35.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.103 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.401 HG22 ' HA ' ' A' ' 89' ' ' LYS . 15.2 m -62.86 -31.91 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.364 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 89' ' ' LYS . 2.3 t -53.4 -36.79 27.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -66.79 -29.37 69.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.438 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 3.2 m -86.22 -32.57 21.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.443 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.562 ' HB2' HD11 ' A' ' 64' ' ' ILE . 50.3 t80 -69.01 -43.48 74.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.626 1.204 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -39.32 77.21 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.442 1.088 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.53 -38.38 59.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 10.3 t80 -76.37 -53.43 8.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 104' ' ' THR . 40.1 mm -56.03 -35.57 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.471 ' OE1' ' CB ' ' A' ' 107' ' ' SER . 2.2 mm-40 -54.49 -47.26 73.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.23 -15.85 45.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.079 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.64 HD11 HG23 ' A' ' 39' ' ' ILE . 0.2 OUTLIER -82.56 -26.89 31.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.882 HG22 HD11 ' A' ' 76' ' ' ILE . 64.8 p -111.14 -47.67 3.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.461 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.689 ' CA ' ' CE2' ' A' ' 32' ' ' PHE . . . 111.51 -27.8 10.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.135 . . . . 0.0 111.078 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CG ' ' HG2' ' A' ' 27' ' ' PRO . 30.2 m-85 -86.28 137.37 32.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 111.066 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.591 ' O ' ' HG3' ' A' ' 110' ' ' GLU . 39.8 p -109.64 -173.42 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.04 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.72 -20.32 61.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -66.99 -50.4 62.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.591 ' HG3' ' O ' ' A' ' 107' ' ' SER . 2.4 pp20? -66.95 -29.26 69.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.353 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.517 ' N ' ' CD ' ' A' ' 110' ' ' GLU . 1.4 tmm_? -49.77 -37.12 28.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.233 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -46.32 73.68 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -43.08 -53.35 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.478 ' CG ' ' O ' ' A' ' 111' ' ' ARG . 13.9 ptp -70.82 -30.05 66.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.058 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.415 ' N ' ' HG3' ' A' ' 114' ' ' MET . 0.0 OUTLIER -69.67 -55.58 9.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 110.962 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.8 p -106.01 114.64 28.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.376 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -44.71 165.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 179.957 . . . . . . . . 0 0 . 1 stop_ save_