data_1wfy_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 1wfy _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 ' 16' ' ' ARG . . . . . 0.402 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.417 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.7 pp -103.48 165.68 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.454 HG22 ' CD ' ' A' ' 31' ' ' ARG . 24.6 m -142.28 161.22 38.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 41.9 p90 -156.75 164.25 38.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.26 159.96 14.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -132.08 138.69 48.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.93 117.86 30.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.4 mt -88.99 68.98 8.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.501 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 89.8 t . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 m -104.91 160.01 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.454 ' CD ' HG22 ' A' ' 18' ' ' THR . 9.4 ttt180 -118.68 145.71 45.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.569 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 8.1 mt -131.53 125.04 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.429 ' CA ' HG21 ' A' ' 18' ' ' THR . 91.2 p -116.64 138.72 51.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.14 162.57 1.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.52 152.51 33.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.2 Cg_endo -74.99 -55.36 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.771 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.4 p -38.13 -53.96 1.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.439 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER -44.53 166.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -93.2 -174.09 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -85.14 -22.37 28.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -88.63 -37.1 15.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.251 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 5.1 mm-40 -75.26 -27.5 59.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.03 -25.84 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -91.76 -14.42 29.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.517 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -52.33 -50.7 78.13 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.06 -3.15 13.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mm -99.97 -42.79 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.424 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 16.3 mt -71.91 -39.87 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.91 -15.44 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -102.57 -5.98 23.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -121.28 8.73 10.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.587 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.25 17.47 61.62 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.557 1.161 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' LEU . 14.0 mt -97.06 -164.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.2 m -156.83 170.73 21.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.424 ' HG ' ' CD1' ' A' ' 48' ' ' LEU . 12.6 mt -81.24 -17.15 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -107.61 15.23 24.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -114.12 -47.7 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.9 m -93.59 168.11 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.5 t -140.79 126.63 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.93 139.76 33.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -176.29 119.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.572 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.404 ' C ' ' N ' ' A' ' 73' ' ' ASN . 1.9 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -44.42 -26.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 71' ' ' LEU . 8.2 m-20 -70.94 148.44 94.55 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.92 27.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 8.1 m -57.36 -19.51 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -15.81 30.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -102.01 -5.53 24.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 m -121.19 29.86 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.3 70.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.07 -67.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.97 178.12 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.3 m -93.46 133.24 36.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mt -93.89 174.68 7.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.501 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 53.2 t -127.23 141.6 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.459 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 4.5 tp -112.65 127.54 56.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -110.95 81.55 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.7 p -58.56 158.77 14.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.117 0 O-C-N 124.531 1.806 . . . . 0.0 111.009 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.479 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.6 pp -101.91 151.27 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 8.9 m -129.43 157.98 40.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 43.8 p90 -154.71 163.29 40.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.459 ' CG ' ' HD3' ' A' ' 31' ' ' ARG . 6.3 mt-30 -102.32 156.16 17.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -128.9 152.06 48.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -112.27 95.17 5.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.7 73.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.464 ' CG2' HG12 ' A' ' 84' ' ' VAL . 41.8 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -144.44 163.35 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HD3' ' CG ' ' A' ' 20' ' ' GLN . 4.8 tpp180 -122.45 145.41 48.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.579 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.8 mt -130.43 134.23 62.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.455 ' CA ' HG22 ' A' ' 18' ' ' THR . 0.7 OUTLIER -123.14 129.8 51.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.973 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.3 156.74 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.91 151.08 3.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.4 Cg_endo -74.94 -58.23 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.528 1.804 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' PRO . 75.5 p -38.28 -50.97 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.425 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.2 mttm -44.17 166.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -94.03 -179.1 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 mt -79.92 -24.47 41.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.412 ' N ' ' HB3' ' A' ' 71' ' ' LEU . 6.3 pt20 -85.8 -38.76 17.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.254 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 1.9 mm-40 -75.12 -24.7 58.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.24 -24.57 25.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.41 -12.5 24.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.525 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.98 -50.43 88.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.0 Cg_endo -75.07 -3.05 13.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.452 1.764 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.45 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 17.0 mm -100.58 -48.79 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.467 ' CD1' ' CD2' ' A' ' 55' ' ' LEU . 35.5 mt -65.47 -44.81 86.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.04 -36.97 80.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -81.32 -11.65 59.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 31.3 m80 -112.46 7.76 19.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.562 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 59.71 20.53 52.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.541 1.151 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' LEU . 32.4 mt -94.61 -170.94 2.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.3 m -145.67 162.15 38.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 25.7 mt -78.16 -32.21 50.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -96.16 37.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -137.28 -54.69 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.0 m -83.94 140.48 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.0 t -107.46 109.23 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.14 133.41 35.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -176.03 139.9 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.333 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.412 ' HB3' ' N ' ' A' ' 41' ' ' GLN . 2.7 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.58 -30.69 13.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -68.36 147.16 98.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 146.6 32.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 17.1 m -62.78 -16.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.0 p -62.42 -13.88 34.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.93 -33.09 12.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 27.3 m -94.98 39.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -119.58 71.27 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.02 -66.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -89.2 171.25 9.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.4 m -93.04 130.79 38.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.397 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 69.8 mt -84.95 174.19 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.464 HG12 ' CG2' ' A' ' 24' ' ' VAL . 70.0 t -135.85 117.78 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 1.5 tm? -99.68 140.5 33.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -125.13 80.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.0 p -48.5 157.11 0.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.519 1.799 . . . . 0.0 110.972 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.42 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.7 pp -103.98 155.37 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 m -134.8 152.93 52.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 45.5 p90 -153.89 163.99 39.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.09 160.86 14.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -131.0 140.48 50.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 83' ' ' LEU . 1.4 tt0 -95.3 112.63 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 24' ' ' VAL . 5.2 mt -84.46 69.49 10.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.454 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 84.5 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.14 157.05 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -116.53 146.1 42.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 7.9 mt -131.01 129.34 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.5 p -121.21 135.85 55.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.44 160.42 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.488 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -51.87 150.39 7.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.97 -59.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.2 p -37.98 -48.97 1.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.2 mttm -45.27 168.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -94.0 -176.46 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.401 ' CD1' HG12 ' A' ' 78' ' ' VAL . 1.7 mt -82.85 -26.85 31.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -85.71 -37.69 19.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.0 mm-40 -72.95 -24.72 60.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.93 -23.24 25.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -94.82 -18.82 20.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.535 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -52.05 -49.83 82.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.0 -2.93 13.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.469 HG23 ' CE1' ' A' ' 51' ' ' HIS . 21.6 mm -100.7 -49.73 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 52' ' ' GLY . 18.2 mt -61.02 -47.61 85.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.38 73.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.21 -3.1 58.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.469 ' CE1' HG23 ' A' ' 47' ' ' ILE . 41.4 m80 -123.63 7.39 8.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 62.01 23.8 64.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.69 -163.83 1.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 0.752 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.0 m -155.57 173.84 16.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.033 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.8 mt -85.02 -26.53 26.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -98.57 37.91 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -139.54 -55.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.457 ' HB ' ' CD1' ' A' ' 85' ' ' LEU . 10.8 m -83.75 138.22 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.1 t -111.97 109.07 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.5 137.3 32.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -169.17 115.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.622 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -49.42 -23.87 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -74.65 147.67 84.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.33 25.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 12.4 m -55.34 -19.61 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.2 p -55.69 -33.85 64.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.54 -38.98 54.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 17.7 m -92.51 46.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -125.99 78.14 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.54 -59.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.987 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -96.53 168.79 10.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.6 m -88.7 129.71 35.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' GLU . 23.4 mt -86.41 171.8 10.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.454 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 46.4 t -126.79 139.94 50.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -122.18 139.59 53.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.38 83.46 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.4 p -55.29 156.85 7.26 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 pp -103.03 160.2 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -135.93 154.14 51.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 51.2 p90 -153.89 163.64 39.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.18 162.87 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -134.7 146.01 49.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.9 tt0 -103.29 111.92 24.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.427 ' CD1' HG11 ' A' ' 30' ' ' VAL . 5.8 mt -84.14 73.39 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.466 HG21 ' CG1' ' A' ' 84' ' ' VAL . 91.4 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.4 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.427 HG11 ' CD1' ' A' ' 23' ' ' LEU . 2.1 m -108.88 160.18 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.19 142.76 46.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.584 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 9.5 mt -128.45 133.41 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.9 p -122.31 135.86 54.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.4 161.66 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -54.61 152.01 13.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.01 -56.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' PRO . 21.2 p -38.54 -57.15 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.469 ' CE ' ' HE3' ' A' ' 35' ' ' LYS . 1.2 tttm -41.12 160.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -90.55 -175.85 4.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.44 ' CD1' HG12 ' A' ' 78' ' ' VAL . 3.7 mt -78.04 -21.15 51.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -87.5 -40.38 14.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 30.9 mt-10 -73.48 -24.47 60.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.35 -28.26 21.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.97 -8.73 39.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.541 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -62.31 -49.52 83.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.08 -4.53 15.52 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.474 HG23 ' CE1' ' A' ' 51' ' ' HIS . 19.9 mm -101.46 -56.24 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.45 ' CD1' HD23 ' A' ' 55' ' ' LEU . 64.6 mt -58.83 -43.31 90.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.26 96.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -79.52 -4.13 49.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.474 ' CE1' HG23 ' A' ' 47' ' ' ILE . 26.4 m80 -115.93 10.38 15.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.618 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.63 12.92 36.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' LEU . 44.7 mt -90.29 -163.52 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 0.725 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -158.07 161.29 38.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.45 HD23 ' CD1' ' A' ' 48' ' ' LEU . 15.6 mt -76.69 -33.32 58.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.27 36.16 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -135.52 -54.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.5 m -82.37 173.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.2 t -136.7 133.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.45 140.81 45.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -175.45 114.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.597 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -94.55 -31.15 14.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -73.93 149.24 87.58 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.83 27.05 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 9.1 m -51.45 -22.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.8 p -52.81 -32.55 44.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -79.46 -39.45 32.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 5.2 m -89.63 43.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -127.58 56.29 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 t -150.47 -57.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.045 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.31 -173.83 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.7 m -96.15 139.82 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 22' ' ' GLU . 97.7 mt -97.76 168.74 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.466 ' CG1' HG21 ' A' ' 24' ' ' VAL . 58.2 t -126.22 135.39 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -114.9 137.8 51.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.409 ' N ' ' CD1' ' A' ' 85' ' ' LEU . 5.9 t70 -122.9 90.81 3.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.5 p -57.43 157.02 14.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.41 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.7 pp -98.57 155.16 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 4.3 m -129.87 155.12 46.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 46.8 p90 -152.9 161.02 43.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.413 ' OE1' ' NE ' ' A' ' 31' ' ' ARG . 1.6 mt-30 -101.28 158.53 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.2 147.46 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 83' ' ' LEU . 1.4 tt0 -105.2 97.6 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.9 mt -70.75 69.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.597 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 25.4 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.6 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.25 164.92 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.413 ' NE ' ' OE1' ' A' ' 20' ' ' GLN . 12.6 tpp85 -127.88 139.47 52.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 11.1 mt -124.39 137.91 55.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.468 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.8 OUTLIER -125.54 124.45 41.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.46 162.41 24.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -55.88 150.07 30.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.97 -56.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.523 1.801 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' PRO . 7.7 p -38.05 -51.23 1.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -45.83 169.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -94.64 -177.43 4.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.43 ' CB ' ' HA ' ' A' ' 71' ' ' LEU . 1.2 mt -81.61 -28.12 33.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -83.54 -37.69 22.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.485 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -73.78 -24.89 59.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.48 -24.04 25.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.02 -14.67 24.12 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.523 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.71 -50.65 85.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.5 Cg_endo -74.99 -3.22 13.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 18.3 mm -100.27 -46.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' CD1' HD21 ' A' ' 55' ' ' LEU . 7.9 mt -65.81 -47.03 76.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.45 76.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.71 -16.32 54.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 35.9 m80 -108.73 7.9 26.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 63.1 11.47 38.87 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' LEU . 16.2 mt -87.6 -168.86 2.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.456 ' HB2' ' CG ' ' A' ' 57' ' ' GLN . 67.9 m -153.03 166.52 32.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.447 HD21 ' CD1' ' A' ' 48' ' ' LEU . 19.1 mt -79.92 -28.76 39.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -100.62 30.56 3.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 69.1 mm-40 -131.76 -47.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 m -94.84 148.62 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.2 t -117.54 130.79 71.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.4 146.75 30.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -175.27 116.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.582 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.347 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.43 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.4 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -52.12 -20.86 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -75.89 149.52 82.98 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.06 22.54 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 15.6 m -55.91 -20.23 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.0 t -54.51 -26.94 34.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.964 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -39.34 23.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 34.3 m -92.53 45.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.33 72.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.95 -60.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.99 165.43 15.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.3 m -93.59 135.07 35.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' GLU . 4.8 mt -96.78 165.48 12.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.597 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 47.2 t -124.77 123.25 65.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -103.81 137.28 42.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.41 95.43 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.411 ' N ' HD13 ' A' ' 85' ' ' LEU . 39.9 p -58.64 158.84 14.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.3 mtm-85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.484 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.6 pp -101.67 152.17 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -128.78 153.59 47.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.586 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 47.3 p90 -153.72 163.81 39.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -101.42 164.17 11.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -140.25 136.07 32.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.9 tt0 -92.07 116.19 28.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.65 74.11 8.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.245 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.24 166.36 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -125.23 140.95 52.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.586 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 8.5 mt -127.4 132.82 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 p -121.39 132.4 54.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -174.61 151.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.58 152.34 0.7 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.03 -58.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 36' ' ' PRO . 67.9 p -38.5 -51.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.4 mttm -43.62 164.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.9 mtm-85 -91.79 -177.34 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mt -81.33 -23.98 37.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 8.1 pt20 -84.89 -42.71 14.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.9 mm-40 -71.96 -24.41 61.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.255 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.72 -25.28 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.83 -9.78 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.545 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -58.32 -49.04 95.77 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.339 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.96 -4.22 15.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.447 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 20.9 mm -100.99 -49.54 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.465 HD11 ' CD2' ' A' ' 55' ' ' LEU . 41.0 mt -68.69 -25.52 64.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.14 -36.14 40.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.66 1.08 53.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 28.7 m80 -120.72 5.61 10.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.64 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.53 15.32 46.13 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' LEU . 14.4 mt -89.35 -165.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.1 m -151.71 156.13 39.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.465 ' CD2' HD11 ' A' ' 48' ' ' LEU . 22.1 mt -71.15 -23.38 62.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -103.9 36.09 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -134.69 -46.97 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.1 m -89.03 145.12 7.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.25 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.1 t -117.51 114.56 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.38 140.72 29.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -177.7 117.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.427 ' HG3' ' CD2' ' A' ' 83' ' ' LEU . 2.7 mtp180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.432 ' CB ' ' HB3' ' A' ' 41' ' ' GLN . 7.2 mt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -102.2 -22.99 14.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -83.55 151.54 62.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.3 Cg_endo -74.99 135.58 19.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 11.7 m -46.51 -25.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 74' ' ' PRO . 54.8 p -51.52 -28.76 14.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.85 -29.38 32.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 19.6 m -106.33 51.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.08 70.7 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 t -176.2 -68.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -82.61 170.08 15.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -86.27 131.53 34.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.444 ' CD1' ' HB ' ' A' ' 78' ' ' VAL . 73.8 mt -94.1 159.04 15.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 69.5 t -122.43 129.78 75.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.467 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 1.7 tm? -115.27 144.5 43.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.82 86.96 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.8 p -56.66 157.64 9.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 110.408 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.496 1.788 . . . . 0.0 110.981 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pp -101.15 148.91 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 6.9 m -127.43 157.67 39.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 47.7 p90 -154.84 163.27 40.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.3 154.13 19.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -127.59 146.89 50.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -105.02 111.27 23.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 mt -80.57 76.76 7.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.466 HG22 ' CG1' ' A' ' 84' ' ' VAL . 80.5 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -109.94 163.3 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -118.96 147.4 44.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.578 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 10.1 mt -132.53 136.1 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -122.31 133.77 54.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.038 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -175.88 156.3 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -52.19 151.73 6.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.05 -58.75 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' PRO . 8.3 p -38.45 -49.69 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.391 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.468 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.4 mttm -44.56 164.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.3 mtm180 -91.86 179.31 5.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mt -77.31 -25.85 51.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 45' ' ' GLN . 12.2 pt20 -85.61 -41.03 15.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.6 mm-40 -71.88 -25.41 61.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.454 ' CB ' HG11 ' A' ' 75' ' ' VAL . . . -86.63 -25.68 24.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.99 -15.32 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.536 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.0 -49.88 87.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -74.98 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 14.9 mm -100.53 -46.28 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 53' ' ' LEU . 15.7 mt -67.82 -37.66 82.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.16 -33.56 74.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 1.06 55.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 29.0 m80 -125.45 8.13 7.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.592 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.52 19.73 42.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' LEU . 66.5 mt -93.59 -168.95 2.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.37 163.71 38.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.414 ' HG ' ' CD1' ' A' ' 48' ' ' LEU . 5.7 mt -82.01 -21.48 37.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -101.55 16.74 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -118.18 -57.87 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.1 m -82.4 151.4 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.352 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.9 t -122.68 114.29 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.461 ' CD1' ' C ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -95.24 137.29 34.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -176.01 123.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.4 mtt-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -85.77 -19.9 30.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -83.76 152.06 62.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.97 22.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 9.6 m -47.36 -26.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.5 p -46.18 -33.09 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -40.59 60.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.405 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 3.4 m -89.01 44.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -127.69 77.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.0 t -178.53 -55.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -106.43 176.44 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.3 m -91.29 137.75 32.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.404 ' HB3' ' CD2' ' A' ' 60' ' ' LEU . 83.1 mt -94.11 175.16 6.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.466 ' CG1' HG22 ' A' ' 24' ' ' VAL . 93.4 t -132.5 130.4 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 1.4 tm? -110.74 141.8 43.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -129.17 89.27 2.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.4 p -61.2 157.4 43.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.388 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 1.9 pp -105.78 158.95 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 16.0 m -134.28 159.63 40.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 51.1 p90 -154.7 163.19 40.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.27 160.02 14.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.407 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -137.33 150.77 47.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -107.84 120.94 43.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -91.45 74.07 6.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.463 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 14.7 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.6 167.95 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -126.9 141.75 51.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 6.7 mt -128.58 131.47 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.9 p -119.32 137.03 53.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.031 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.73 158.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -54.26 152.24 11.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.97 -58.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.517 1.799 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 36' ' ' PRO . 17.1 p -37.79 -53.77 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 2.0 mttt -42.83 163.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -89.04 -176.1 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.41 ' CB ' ' HA ' ' A' ' 71' ' ' LEU . 1.1 mt -83.45 -27.06 29.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -84.51 -36.35 22.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.9 mm-40 -74.83 -27.1 60.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.05 -24.66 28.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -92.97 -12.95 29.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.526 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.54 -50.38 88.11 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.98 -3.25 13.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 17.8 mm -100.71 -45.23 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 53' ' ' LEU . 6.0 mt -69.8 -34.52 73.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.31 -36.84 79.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.79 -1.01 57.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 24.0 m80 -120.8 5.47 10.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.591 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.46 19.18 46.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.445 1.09 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' LEU . 30.0 mt -91.73 -165.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.3 m -156.68 163.22 39.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.58 -21.03 42.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.61 32.29 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -134.44 -46.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 m -92.53 161.34 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.7 t -132.01 113.48 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -88.7 139.01 30.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -172.91 128.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.56 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.41 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -50.72 -28.13 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -71.46 148.05 93.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 140.31 25.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 16.8 m -55.35 -19.77 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -58.92 -18.73 36.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.951 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.2 -13.59 24.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.436 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 13.4 m -120.95 46.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.458 ' HB2' ' CD1' ' A' ' 17' ' ' ILE . . . -107.2 33.52 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -155.26 -176.45 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.028 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' SER . 45.4 mt-30 41.65 -163.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.2 m -129.05 126.83 40.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.447 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.9 mt -84.19 164.46 19.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.463 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 58.7 t -125.06 113.22 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.407 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 3.4 tm? -97.24 137.49 36.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.5 90.36 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.404 HG23 ' CD1' ' A' ' 85' ' ' LEU . 37.9 p -57.68 158.35 12.08 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.386 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.403 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.7 pp -101.92 153.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 6.1 m -128.46 156.65 42.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.379 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 48.7 p90 -154.19 162.05 41.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.419 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -101.11 163.95 12.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.27 143.87 38.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.23 114.01 27.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mt -85.45 69.67 10.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.473 HG22 ' CG1' ' A' ' 84' ' ' VAL . 93.2 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -117.38 162.08 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.419 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -120.89 140.3 52.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.578 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 10.1 mt -126.23 137.44 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.2 p -121.92 136.28 54.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.54 164.09 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -61.96 152.91 75.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.99 -55.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.427 1.751 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' PRO . 27.8 p -38.32 -54.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.484 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -45.03 166.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -92.32 -175.42 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.418 ' CB ' ' HA ' ' A' ' 71' ' ' LEU . 1.3 mt -83.0 -26.65 31.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.422 ' HB3' ' CB ' ' A' ' 71' ' ' LEU . 7.5 pt20 -83.78 -39.16 20.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.484 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.4 mm-40 -73.42 -25.85 60.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.34 -25.04 29.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -92.86 -15.76 26.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.529 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -52.96 -50.16 83.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.03 -3.08 13.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.777 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.414 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 15.1 mm -100.08 -47.92 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLY . 14.9 mt -62.58 -49.61 74.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.88 75.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -11.7 59.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 44.2 m80 -115.66 7.09 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.594 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 64.24 14.04 55.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' LEU . 14.1 mt -91.89 -163.91 1.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.76 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.4 m -154.48 175.33 13.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.941 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.436 ' HG ' ' CD1' ' A' ' 48' ' ' LEU . 23.4 mt -86.55 -23.75 25.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -102.1 30.25 4.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -131.42 -53.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.1 m -87.34 137.25 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.8 t -109.45 121.89 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 61' ' ' HIS . 2.1 tm? -98.15 139.6 33.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.415 ' N ' HD13 ' A' ' 60' ' ' LEU . 1.1 p80 -177.6 121.79 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 109.637 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.34 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 41' ' ' GLN . 2.9 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -41.29 -28.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 71' ' ' LEU . 67.3 m-20 -67.12 152.24 96.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 139.58 24.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 10.9 m -58.73 -23.05 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.59 -25.47 17.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.5 -33.08 23.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.958 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 29.7 m -100.54 42.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -126.65 66.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.92 -52.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -101.83 177.72 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -94.23 142.3 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.2 mt -105.74 168.99 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.473 ' CG1' HG22 ' A' ' 24' ' ' VAL . 89.3 t -127.56 129.18 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 86' ' ' ASP . 3.4 tm? -108.68 139.78 43.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.404 ' N ' HD11 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -124.1 95.49 4.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.6 p -64.64 157.66 72.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.373 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.455 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.5 pp -102.37 158.15 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 10.2 m -137.91 158.36 44.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 46.2 p90 -154.49 165.69 35.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 26.2 mt-30 -101.18 152.67 20.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -126.51 141.08 52.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -98.13 110.85 23.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 24' ' ' VAL . 4.9 mt -81.9 70.26 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.521 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 40.2 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.9 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -101.33 155.63 4.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.464 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 15.3 tpp85 -113.88 150.1 34.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.577 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.4 mt -132.75 132.1 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.7 p -120.9 131.04 54.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.46 153.65 2.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.11 151.75 2.25 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.03 -59.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' PRO . 6.6 p -37.7 -50.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -44.97 161.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -87.15 179.43 6.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.416 ' CB ' ' HA ' ' A' ' 71' ' ' LEU . 1.2 mt -78.99 -29.05 43.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -83.63 -34.04 25.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 42.1 mm-40 -76.59 -25.25 53.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.93 -23.78 25.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -94.62 -17.82 21.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.529 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -52.19 -50.16 80.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.01 -3.19 13.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 20.8 mm -100.24 -43.38 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 53' ' ' LEU . 11.8 mt -71.09 -35.74 71.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.84 -24.6 63.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -16.07 22.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 51.1 m80 -109.32 7.14 25.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.629 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.66 28.28 59.82 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 48' ' ' LEU . 42.6 mt -101.1 -170.42 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.04 156.21 41.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.408 HD21 ' CD1' ' A' ' 48' ' ' LEU . 11.5 mt -71.46 -29.53 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.27 7.67 44.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -106.13 -60.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.6 m -83.9 141.85 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.4 t -108.98 119.73 59.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -89.97 138.01 31.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.415 ' N ' HD13 ' A' ' 60' ' ' LEU . 3.7 p80 -176.19 137.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.56 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.416 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.3 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -52.87 -21.06 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -75.67 151.81 84.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 142.94 28.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 13.0 m -62.09 -15.23 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 t -58.97 -29.94 67.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.93 -31.18 27.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 m -97.24 40.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.244 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -125.84 59.99 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.71 -59.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -98.35 173.78 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -89.92 139.55 30.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 19' ' ' PHE . 8.1 mt -100.37 168.89 9.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.521 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 92.9 t -128.31 123.38 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.46 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 2.1 tm? -94.92 139.74 30.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.93 94.31 4.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.443 HG22 ' CD1' ' A' ' 85' ' ' LEU . 27.9 p -66.92 157.42 84.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.374 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 pp -102.14 157.87 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 7.5 m -137.16 158.27 44.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 41.2 p90 -155.24 166.45 33.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 8.1 mt-30 -101.21 157.32 16.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -130.89 137.36 49.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -96.64 115.03 26.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' VAL . 5.8 mt -83.3 70.12 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.487 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 94.8 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 74.8 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 m -80.32 151.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.481 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 3.0 tpp85 -114.41 151.05 33.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.246 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.568 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 10.8 mt -132.31 133.16 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.7 p -122.81 135.04 54.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.68 161.46 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.26 153.86 24.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -54.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.1 p -38.63 -56.05 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.2 mttm -43.34 164.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -92.44 -174.82 3.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.433 ' CD1' HG11 ' A' ' 78' ' ' VAL . 1.8 mt -82.97 -22.42 33.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.401 ' N ' ' HB3' ' A' ' 71' ' ' LEU . 17.9 pt20 -88.99 -35.72 16.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.431 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 14.7 mm-40 -77.92 -26.85 49.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.94 -25.14 32.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -92.15 -15.44 27.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.528 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.92 -50.09 80.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.5 Cg_endo -74.98 -3.06 13.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 13.6 mm -100.42 -48.0 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.369 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.44 ' CD1' HD22 ' A' ' 55' ' ' LEU . 11.4 mt -63.03 -45.01 94.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.53 -30.75 71.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -87.5 -0.58 57.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 46.0 m80 -127.11 5.52 6.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.582 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 64.54 16.3 60.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.572 1.17 . . . . 0.0 110.976 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.4 mt -94.79 -167.76 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 0.794 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.5 m -152.21 179.05 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' A' ' 48' ' ' LEU . 13.3 mt -89.86 -16.32 30.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.48 15.26 25.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -117.7 -43.97 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.54 150.47 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.5 t -121.43 124.94 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.45 139.13 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 84' ' ' VAL . 4.0 p80 -175.82 148.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.582 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.29 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.401 ' HB3' ' N ' ' A' ' 41' ' ' GLN . 2.2 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -23.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -73.84 146.39 85.31 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 138.97 23.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.793 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 16.8 m -56.53 -18.6 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -22.87 64.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.23 -16.63 27.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.433 HG11 ' CD1' ' A' ' 40' ' ' LEU . 2.9 m -112.51 34.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.54 25.21 4.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.5 p -152.52 145.28 24.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.959 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 74.53 178.08 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.448 ' OG1' ' NE2' ' A' ' 20' ' ' GLN . 48.5 m -110.41 126.22 54.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 110.396 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.5 mt -84.15 174.68 10.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.487 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 86.4 t -126.97 137.12 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.467 ' CD1' HG22 ' A' ' 87' ' ' THR . 2.7 tm? -110.4 138.97 46.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.414 ' N ' HD12 ' A' ' 85' ' ' LEU . 18.8 t0 -125.49 95.21 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.467 HG22 ' CD1' ' A' ' 85' ' ' LEU . 79.5 p -72.03 157.36 89.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 111.024 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.421 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.8 pp -107.79 151.18 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -128.55 153.05 47.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 46.8 p90 -153.31 163.94 39.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.03 163.23 12.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -137.81 147.54 44.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -102.87 119.87 39.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -92.39 74.81 5.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.5 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -116.01 162.38 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.44 142.35 49.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.584 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 8.8 mt -128.09 133.2 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.8 p -122.05 134.7 54.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.53 155.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.25 151.73 2.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.0 Cg_endo -75.08 -59.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . 79.3 p -37.84 -53.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -41.08 155.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.41 ' NH1' ' HD3' ' A' ' 74' ' ' PRO . 1.2 mmp_? -78.69 -175.9 4.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 mt -84.68 -26.55 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' GLN . 1.9 pt20 -84.8 -38.71 19.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.451 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 14.9 mm-40 -71.68 -24.45 61.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.463 ' CB ' HG12 ' A' ' 75' ' ' VAL . . . -86.68 -25.6 24.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.29 -16.42 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.531 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -52.8 -50.2 82.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -74.97 -3.31 13.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.426 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 16.0 mm -100.23 -42.83 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' LEU . 8.1 mt -72.79 -26.15 61.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.78 -33.66 60.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 1.49 57.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 28.7 m80 -123.58 4.47 8.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.606 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.13 25.18 56.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' LEU . 80.9 mt -97.4 -168.52 1.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.66 174.81 11.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.039 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mt -94.88 -13.54 25.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.67 7.18 18.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.24 -47.0 4.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.9 m -89.12 171.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.7 t -141.44 123.47 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.13 139.41 37.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -172.84 117.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.576 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -76.57 -2.98 35.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -98.31 152.86 38.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.41 ' HD3' ' NH1' ' A' ' 39' ' ' ARG . 18.3 Cg_endo -74.97 139.97 24.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 6.3 m -53.01 -21.63 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.5 p -52.89 -23.05 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.984 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.45 -39.86 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 16.1 m -91.99 36.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.03 58.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.5 t -161.35 -54.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -101.79 179.04 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -92.99 136.08 33.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.421 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.459 ' CD1' ' HB ' ' A' ' 78' ' ' VAL . 28.5 mt -96.19 163.24 13.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 73.8 t -127.13 119.24 52.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 87' ' ' THR . 2.6 tm? -103.5 138.2 40.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.413 ' N ' HD11 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -125.42 90.52 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.47 HG22 ' CD1' ' A' ' 85' ' ' LEU . 42.6 p -57.78 158.95 10.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.958 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.502 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.5 pp -105.09 152.29 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 m -130.06 156.03 45.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 49.9 p90 -154.82 166.07 34.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.15 161.8 13.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.434 HD23 ' CB ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -134.9 135.61 41.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -97.72 108.52 21.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -82.64 80.63 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.303 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.8 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 m -125.23 159.15 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 32' ' ' ILE . 23.7 ttp180 -114.81 144.32 43.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 7.0 mt -130.83 129.7 63.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.5 p -119.59 134.59 55.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.42 154.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -48.97 151.02 2.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.96 -58.86 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.543 1.812 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' PRO . 22.3 p -38.28 -48.05 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -47.53 167.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -93.31 -172.74 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.456 HD13 ' CG1' ' A' ' 78' ' ' VAL . 1.0 OUTLIER -86.59 -23.68 25.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -85.61 -39.53 17.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.477 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.6 mm-40 -75.82 -21.9 56.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' CB ' HG12 ' A' ' 75' ' ' VAL . . . -88.9 -24.1 22.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.84 -18.14 19.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.557 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -53.89 -48.3 94.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.95 -4.59 15.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 18.6 mm -101.03 -49.67 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.461 ' CD1' HD22 ' A' ' 55' ' ' LEU . 31.0 mt -68.29 -31.43 70.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.14 -28.12 63.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -96.39 1.02 51.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 28.6 m80 -121.03 8.79 10.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.556 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.78 17.54 54.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' LEU . 39.2 mt -94.53 -173.48 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.4 m -150.58 165.56 32.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.461 HD22 ' CD1' ' A' ' 48' ' ' LEU . 13.7 mt -81.55 -16.63 51.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.91 31.32 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -139.42 -62.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.7 m -66.73 149.61 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.76 105.29 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.32 139.79 30.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -174.12 115.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.57 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.458 ' HG3' ' CD2' ' A' ' 83' ' ' LEU . 3.3 mtt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -49.02 -23.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -71.14 148.22 93.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.4 Cg_endo -75.02 133.21 16.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 5.4 m -46.88 -25.92 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' PRO . 3.9 t -47.04 -27.9 1.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.991 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.5 -40.32 23.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.456 ' CG1' HD13 ' A' ' 40' ' ' LEU . 12.2 m -90.91 39.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -124.96 45.66 2.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.9 t -151.15 -62.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.984 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -94.25 158.47 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.3 m -74.41 131.14 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.458 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 32.1 mt -84.77 169.91 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 74.9 t -135.22 122.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.475 ' CD2' HG23 ' A' ' 87' ' ' THR . 0.6 OUTLIER -107.52 132.26 53.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.44 ' N ' HD23 ' A' ' 85' ' ' LEU . 7.6 t0 -111.87 61.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.475 HG23 ' CD2' ' A' ' 85' ' ' LEU . 70.8 p -45.6 156.6 0.41 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.469 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.5 pp -95.3 151.57 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 2.6 m -128.98 153.42 47.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.441 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 47.0 p90 -150.98 164.33 36.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.467 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 30.7 mt-30 -100.92 157.56 16.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.427 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -129.9 139.94 51.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 83' ' ' LEU . 1.8 tt0 -98.21 115.07 27.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.45 HD12 ' CG1' ' A' ' 30' ' ' VAL . 7.4 mt -88.45 68.33 8.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.525 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 83.9 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 91.4 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.45 ' CG1' HD12 ' A' ' 23' ' ' LEU . 18.5 m -71.52 147.92 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.431 ' HD3' ' CG ' ' A' ' 20' ' ' GLN . 8.9 tpp85 -113.94 149.09 35.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.5 mt -132.9 138.8 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.465 ' CB ' HG23 ' A' ' 18' ' ' THR . 0.3 OUTLIER -128.75 128.55 44.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.29 153.5 5.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.96 151.46 0.88 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.08 -58.75 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.473 1.776 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.4 p -38.89 -49.6 1.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.407 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 2.1 mttt -45.31 166.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -92.99 -174.93 3.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.54 -23.81 29.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -86.47 -41.98 13.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.445 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 58.1 mm-40 -72.53 -23.3 60.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.22 -23.89 26.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.63 -15.65 21.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.535 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -52.2 -49.82 82.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.97 -3.3 13.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 13.4 mm -100.68 -46.03 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 53' ' ' LEU . 10.7 mt -68.66 -29.55 68.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.43 60.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.43 -4.35 57.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 44.8 m80 -119.02 6.19 11.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.68 19.54 49.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.562 1.164 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.7 mt -92.6 -166.18 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.3 m -148.32 172.9 13.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.3 mt -85.96 -23.45 26.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.49 28.24 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -129.82 -64.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.0 m -68.73 127.65 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -103.55 104.92 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -87.11 138.25 31.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -176.97 136.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.628 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -51.53 -24.01 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.46 148.01 90.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.69 20.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.459 1.768 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 7.0 m -51.29 -24.65 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.4 t -49.58 -33.67 15.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.23 -37.5 53.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 83' ' ' LEU . 14.1 m -96.07 48.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.43 51.04 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.6 t -154.94 -56.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.06 177.25 6.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -96.65 123.52 40.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 78' ' ' VAL . 45.8 mt -83.79 159.76 21.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.525 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 39.0 t -122.41 125.73 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.44 HD22 ' N ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -106.9 124.23 49.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.351 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' HD22 ' A' ' 85' ' ' LEU . 1.3 t70 -101.3 60.69 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.44 ' N ' HD22 ' A' ' 85' ' ' LEU . 68.7 p -41.62 155.88 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.426 1.75 . . . . 0.0 111.054 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.501 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.4 pp -101.71 160.19 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 6.7 m -135.99 157.33 47.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.414 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 47.1 p90 -153.66 162.32 41.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 23.7 mt-30 -101.36 157.45 16.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.68 136.38 46.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.4 tt0 -94.09 130.57 40.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -102.97 70.68 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.0 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.415 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 86.2 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -92.72 156.67 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.86 146.95 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 10.1 mt -132.82 134.17 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 p -120.42 135.99 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.86 163.79 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.513 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.22 150.04 43.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.97 -57.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' PRO . 31.1 p -37.46 -55.02 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.475 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -41.38 161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -85.04 -176.01 6.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.482 ' CD1' ' OD1' ' A' ' 73' ' ' ASN . 1.4 mt -84.28 -23.67 30.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -87.71 -36.98 17.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.249 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.5 mm-40 -74.29 -24.54 59.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.41 -25.47 25.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.08 -16.05 22.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -53.37 -49.88 85.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.03 -3.04 13.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.54 1.811 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 14.6 mm -100.59 -47.83 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 52' ' ' GLY . 18.8 mt -62.05 -43.58 98.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.45 -33.82 76.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.35 -5.38 59.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 48.3 m80 -121.55 7.83 10.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.558 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 61.52 13.71 38.99 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' LEU . 50.2 mt -91.19 -165.28 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.7 -173.5 4.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.056 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.421 HD23 ' CD1' ' A' ' 48' ' ' LEU . 10.7 mt -99.67 -23.14 15.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -101.89 28.2 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -128.37 -63.33 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.8 m -71.68 175.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.7 t -143.72 108.58 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 tp -88.13 131.18 34.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -169.46 122.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -41.12 -30.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.482 ' OD1' ' CD1' ' A' ' 40' ' ' LEU . 8.9 p30 -73.27 146.8 87.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.13 39.25 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 15.6 m -62.11 -14.35 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -12.71 61.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.82 -4.65 36.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 5.4 m -127.97 23.47 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.436 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . . . -101.72 74.61 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.08 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -94.18 174.6 7.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -94.87 143.58 26.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' GLU . 78.3 mt -103.33 164.45 11.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.8 t -126.68 134.59 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 tp -112.63 123.08 49.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -105.38 76.38 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 79.8 p -49.27 156.75 0.98 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.396 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.016 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.407 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.8 pp -106.88 152.35 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 m -132.18 155.79 47.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 49.7 p90 -153.83 163.17 40.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.419 ' NE2' HG13 ' A' ' 29' ' ' VAL . 9.6 mt-30 -101.32 157.49 16.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -131.42 136.98 48.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -97.2 108.65 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 mt -80.63 69.12 7.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG13 ' NE2' ' A' ' 20' ' ' GLN . 79.4 t . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.9 160.17 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -117.2 146.08 43.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 7.5 mt -132.66 129.94 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.4 p -120.69 137.35 54.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.93 156.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -51.72 151.46 6.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -51.53 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.8 p -43.58 -54.41 4.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.481 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 3.5 mttt -42.32 162.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -87.07 -174.11 4.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.455 ' CD1' HG12 ' A' ' 78' ' ' VAL . 1.1 mt -83.2 -25.75 31.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' GLN . 8.4 pt20 -86.59 -39.1 16.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.481 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.1 mm-40 -70.02 -26.94 64.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.39 -24.79 25.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.17 -15.74 23.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.528 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.08 -50.33 84.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.097 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.4 Cg_endo -75.01 -3.21 13.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.435 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 18.1 mm -100.29 -43.18 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.449 ' CD1' HD22 ' A' ' 55' ' ' LEU . 10.1 mt -72.32 -39.04 68.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.9 65.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -93.39 -10.54 34.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 30.9 m80 -115.06 7.97 15.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.627 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.51 19.75 54.44 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.1 mt -94.07 -169.74 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.09 172.19 14.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.449 HD22 ' CD1' ' A' ' 48' ' ' LEU . 15.2 mt -88.05 -31.87 19.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.3 35.31 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -135.39 -45.27 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.7 m -94.86 147.71 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.9 t -111.27 123.07 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -108.38 140.23 41.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -174.96 116.85 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.595 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HB3' ' CD2' ' A' ' 83' ' ' LEU . 9.9 ptm180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -54.28 -27.92 38.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.423 ' OD1' ' CD1' ' A' ' 40' ' ' LEU . 9.0 p30 -71.07 144.3 89.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 143.76 29.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 15.9 m -57.59 -17.93 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -19.12 61.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.03 -32.51 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.455 HG12 ' CD1' ' A' ' 40' ' ' LEU . 4.2 m -92.09 16.28 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.39 141.42 50.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 81' ' ' GLN . 0.4 OUTLIER 72.31 150.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 80' ' ' SER . 1.4 tt0 84.12 -179.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.5 m -118.24 133.33 55.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 25.5 mt -93.8 172.26 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 73.1 t -127.43 134.0 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -118.91 136.19 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -120.94 79.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 41.2 p -41.55 157.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.348 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.944 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.432 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.7 pp -101.62 151.58 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -129.37 152.55 48.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 49.0 p90 -151.47 162.99 40.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.07 157.52 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -127.36 145.09 50.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -102.72 98.1 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.29 70.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.525 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 75.7 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -119.6 157.28 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.89 145.36 42.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.8 mt -129.85 137.45 56.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.1 p -125.03 130.93 53.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -172.13 152.0 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -47.46 151.34 1.41 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LYS . 18.4 Cg_endo -74.99 -60.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.8 p -40.33 -34.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 4.6 mttt -61.17 155.76 19.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -82.16 -176.62 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.55 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 1.2 mt -80.37 -20.26 44.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.425 ' HB3' ' CB ' ' A' ' 71' ' ' LEU . 19.0 pt20 -89.12 -41.17 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.474 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 27.6 mt-10 -67.92 -28.79 67.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.52 -28.09 26.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -91.61 -9.48 43.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.516 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -58.97 -50.86 85.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.0 -3.56 14.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.424 HG23 ' CE1' ' A' ' 51' ' ' HIS . 22.0 mm -100.79 -44.69 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' CD1' HD21 ' A' ' 55' ' ' LEU . 13.7 mt -73.05 -55.04 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.25 -38.46 26.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' N ' ' A' ' 52' ' ' GLY . 1.8 tttm -74.75 -74.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.424 ' CE1' HG23 ' A' ' 47' ' ' ILE . 69.7 m80 -41.39 -29.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.553 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 50' ' ' LYS . . . 99.79 28.54 7.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.433 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 83.0 mt -105.53 -171.92 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.4 m -139.24 171.77 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.447 HD21 ' CD1' ' A' ' 48' ' ' LEU . 16.8 mt -87.23 -19.72 27.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -109.32 30.83 6.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -130.25 -46.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 m -87.53 155.37 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.5 t -124.35 110.94 26.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.55 ' CD2' ' CD2' ' A' ' 40' ' ' LEU . 9.3 tp -97.47 136.27 38.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -177.49 134.25 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.626 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.446 ' CZ ' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.425 ' CB ' ' HB3' ' A' ' 41' ' ' GLN . 2.0 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -103.48 -20.9 13.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -86.86 152.35 53.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.3 Cg_endo -74.96 136.68 20.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.458 ' HA ' ' CG2' ' A' ' 78' ' ' VAL . 5.2 m -48.28 -24.25 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 74' ' ' PRO . 80.4 p -50.56 -31.24 15.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 109.992 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.58 -37.22 43.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 24.3 m -96.63 48.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.08 64.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.74 -49.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.446 ' HG3' ' CZ ' ' A' ' 62' ' ' ARG . 50.6 mm-40 -104.0 -178.32 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.347 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.4 m -100.57 123.68 45.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.451 ' CD1' ' HB ' ' A' ' 78' ' ' VAL . 85.1 mt -82.99 169.98 15.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.525 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 38.3 t -126.57 132.51 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.414 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 5.5 tp -110.76 126.5 54.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -111.75 76.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.3 p -51.09 157.34 1.5 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 110.945 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pp -101.64 151.02 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 19.7 m -133.52 158.21 43.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 34.3 p90 -152.42 166.09 33.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.469 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 14.9 mt-30 -101.27 153.88 19.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.72 135.1 48.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -97.77 107.12 19.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.81 72.58 1.55 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.458 ' CG2' HG13 ' A' ' 84' ' ' VAL . 66.0 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 93.7 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 m -71.18 150.35 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.469 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 13.4 tpp85 -114.07 150.33 34.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.579 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 10.5 mt -132.85 125.73 52.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.448 ' CA ' HG22 ' A' ' 18' ' ' THR . 0.2 OUTLIER -120.0 130.69 54.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.1 159.25 5.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -52.83 153.14 6.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.359 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.92 -58.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.4 p -38.18 -56.68 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.1 mttt -40.17 157.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -82.77 -175.96 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.417 HD23 ' CD2' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -82.42 -27.55 31.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -82.84 -40.85 19.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 6.6 mm-40 -70.81 -25.31 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.445 ' CB ' HG11 ' A' ' 75' ' ' VAL . . . -86.72 -25.08 24.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.98 -12.9 24.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.54 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.79 -49.38 94.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.5 Cg_endo -74.99 -3.69 14.3 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.45 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 20.1 mm -101.04 -49.82 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.465 HD11 ' CD2' ' A' ' 55' ' ' LEU . 40.3 mt -66.32 -41.45 89.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.04 -31.11 72.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.87 -10.84 49.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 36.1 m80 -113.25 9.43 18.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.646 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.33 14.81 35.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' LEU . 68.0 mt -91.65 -174.96 4.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.401 ' HB2' ' CG ' ' A' ' 57' ' ' GLN . 1.2 m -143.59 151.94 40.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.931 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.465 ' CD2' HD11 ' A' ' 48' ' ' LEU . 2.3 mt -68.38 -24.94 64.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -103.31 20.57 17.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.401 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 41.6 mm-40 -116.33 -48.97 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.0 m -88.58 164.39 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 61' ' ' HIS . 23.8 t -129.91 116.31 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.417 ' CD2' HD23 ' A' ' 40' ' ' LEU . 4.8 tp -97.26 141.01 30.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.468 ' CD2' HG13 ' A' ' 59' ' ' VAL . 6.2 p80 178.55 118.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.36 -38.85 9.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -67.48 153.88 94.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.4 Cg_endo -74.96 140.57 25.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.46 1.769 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 4.3 m -46.72 -26.18 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' PRO . 91.9 p -54.83 -19.07 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.29 -33.05 29.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 19' ' ' PHE . 6.2 m -84.37 -5.92 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -52.05 122.13 7.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.3 OUTLIER 84.89 154.39 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 78.13 177.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.5 m -116.75 119.33 35.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 78' ' ' VAL . 16.3 mt -76.25 173.97 10.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.458 HG13 ' CG2' ' A' ' 24' ' ' VAL . 67.0 t -134.4 126.32 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -108.36 139.71 42.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.55 81.35 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.6 p -51.61 157.77 1.74 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 110.959 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pp -101.74 161.07 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 14.7 m -140.17 158.42 44.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.586 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 45.1 p90 -154.56 161.58 41.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.45 ' OE1' ' NE ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -100.64 156.81 17.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -134.12 141.59 47.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -99.27 109.49 22.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mt -79.14 72.14 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.463 HG21 ' CG1' ' A' ' 84' ' ' VAL . 96.4 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' LEU . 2.0 m -101.19 160.17 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.45 ' NE ' ' OE1' ' A' ' 20' ' ' GLN . 15.5 tpp85 -122.31 142.57 50.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.586 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 11.2 mt -125.55 132.1 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.6 p -119.53 132.56 55.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.97 161.4 3.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.69 153.06 32.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.99 -58.35 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.783 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' PRO . 67.7 p -37.11 -53.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -43.91 165.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -90.07 -176.86 5.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' CD1' HG12 ' A' ' 78' ' ' VAL . 1.1 mt -82.61 -27.58 31.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -86.72 -33.98 19.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 14.2 mm-40 -73.54 -27.45 61.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.78 -22.52 25.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.58 -15.24 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.525 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.76 -50.51 86.7 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.4 Cg_endo -74.97 -2.93 13.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.493 HG21 ' CE1' ' A' ' 51' ' ' HIS . 17.6 mm -100.55 -49.78 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' CD1' HD21 ' A' ' 55' ' ' LEU . 24.0 mt -60.79 -56.85 16.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.47 -49.65 44.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -36.37 81.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.493 ' CE1' HG21 ' A' ' 47' ' ' ILE . 49.6 m80 -88.22 7.76 30.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 60.09 23.14 59.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.8 mt -98.91 -167.93 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.8 m -144.39 172.92 12.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.463 HD21 ' CD1' ' A' ' 48' ' ' LEU . 19.1 mt -86.06 -27.32 24.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -100.11 30.94 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -129.24 -48.64 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 m -90.9 140.52 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.3 t -112.83 116.89 53.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tt -91.08 138.13 31.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 86' ' ' ASP . 23.7 p80 -174.92 114.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.469 ' HB3' ' CD2' ' A' ' 83' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.422 ' C ' ' N ' ' A' ' 73' ' ' ASN . 2.0 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.402 ' CD ' ' OD1' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -41.36 -28.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.422 ' N ' ' C ' ' A' ' 71' ' ' LEU . 7.6 m-20 -71.35 147.44 92.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 139.68 24.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.421 1.748 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 14.8 m -54.35 -24.17 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -51.8 -24.92 6.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.019 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.75 -25.92 26.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.036 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.45 HG12 ' CD1' ' A' ' 40' ' ' LEU . 3.6 m -108.33 45.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.22 44.91 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -174.81 161.8 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.962 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 60.93 170.01 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 54.5 m -102.29 126.32 49.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 21.6 mt -85.13 176.14 8.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 24' ' ' VAL . 58.1 t -133.38 124.52 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.465 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 1.6 tm? -104.61 143.26 33.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.415 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 7.1 t0 -124.58 91.07 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.7 p -64.59 157.24 74.4 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 111.029 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 pp -105.89 154.33 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 m -128.1 152.59 47.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 48.8 p90 -151.33 161.88 41.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -101.2 157.78 16.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -132.52 142.26 49.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.1 tt0 -100.01 112.53 24.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -84.26 70.72 10.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.228 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.474 HG22 ' CG1' ' A' ' 84' ' ' VAL . 84.8 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.0 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -121.98 164.15 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -118.83 142.19 47.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 6.3 mt -129.08 136.61 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.7 p -123.51 134.76 53.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.74 160.43 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.503 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -55.36 151.52 19.19 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.97 -57.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' PRO . 38.5 p -38.14 -52.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -43.17 164.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -89.4 -178.47 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.05 -24.45 32.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -87.12 -36.08 18.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -77.61 -24.86 49.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.42 ' CB ' HG13 ' A' ' 75' ' ' VAL . . . -85.03 -27.42 26.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.47 -15.86 25.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.544 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -52.08 -49.37 84.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.05 -3.28 13.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.487 HG22 ' CE1' ' A' ' 51' ' ' HIS . 15.0 mm -100.72 -46.54 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.441 ' CD1' HD23 ' A' ' 55' ' ' LEU . 7.9 mt -67.35 -34.64 77.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.53 -22.47 61.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.33 -8.48 32.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.487 ' CE1' HG22 ' A' ' 47' ' ' ILE . 47.4 m80 -116.95 9.45 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.613 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.54 18.35 51.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' LEU . 48.8 mt -95.2 -167.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.34 178.98 8.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.441 HD23 ' CD1' ' A' ' 48' ' ' LEU . 12.5 mt -91.69 -31.45 15.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.22 36.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -135.12 -48.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.53 167.45 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.1 t -131.7 116.83 32.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -92.69 138.65 31.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -173.49 142.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.078 . . . . 0.0 109.585 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.4 ' C ' ' N ' ' A' ' 73' ' ' ASN . 1.8 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -44.55 -26.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 71' ' ' LEU . 11.3 m-20 -74.9 148.39 84.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 144.84 30.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 13.3 m -56.61 -21.79 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.32 -20.49 43.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.68 -9.67 53.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 3.6 m -127.42 46.06 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.7 133.95 36.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.66 -61.57 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -45.35 153.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.0 m -94.17 147.0 23.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' GLU . 16.6 mt -118.65 159.16 24.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.474 ' CG1' HG22 ' A' ' 24' ' ' VAL . 81.0 t -118.46 118.7 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.462 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 3.4 tm? -101.69 137.11 40.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.32 94.84 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 25.5 p -62.94 157.62 59.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 110.997 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m 64.58 119.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 110.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p -136.43 167.65 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.14 -172.27 37.17 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.18 161.95 12.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.95 167.31 17.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.59 -175.27 28.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.85 165.7 26.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -120.76 163.26 18.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -128.58 104.19 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.24 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.9 m -132.51 161.23 41.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 137.27 58.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.68 111.8 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -96.5 81.49 3.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -168.98 161.17 10.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -51.89 125.89 16.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.417 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.7 pp -103.48 165.68 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.454 HG22 ' CD ' ' A' ' 31' ' ' ARG . 24.6 m -142.28 161.22 38.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 41.9 p90 -156.75 164.25 38.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.26 159.96 14.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -132.08 138.69 48.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.93 117.86 30.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.4 mt -88.99 68.98 8.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.501 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 89.8 t -39.97 -59.11 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.7 -42.84 53.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.49 -153.37 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.771 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -150.83 74.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 179.08 149.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -95.99 123.44 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 m -104.91 160.01 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.454 ' CD ' HG22 ' A' ' 18' ' ' THR . 9.4 ttt180 -118.68 145.71 45.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.569 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 8.1 mt -131.53 125.04 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.429 ' CA ' HG21 ' A' ' 18' ' ' THR . 91.2 p -116.64 138.72 51.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.14 162.57 1.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.52 152.51 33.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.2 Cg_endo -74.99 -55.36 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.771 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.4 p -38.13 -53.96 1.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.439 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER -44.53 166.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -93.2 -174.09 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mt -85.14 -22.37 28.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -88.63 -37.1 15.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.251 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 5.1 mm-40 -75.26 -27.5 59.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.03 -25.84 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -91.76 -14.42 29.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.517 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -52.33 -50.7 78.13 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.06 -3.15 13.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.9 mm -99.97 -42.79 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.424 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 16.3 mt -71.91 -39.87 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.91 -15.44 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -102.57 -5.98 23.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -121.28 8.73 10.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.587 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.25 17.47 61.62 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.557 1.161 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' LEU . 14.0 mt -97.06 -164.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.2 m -156.83 170.73 21.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.424 ' HG ' ' CD1' ' A' ' 48' ' ' LEU . 12.6 mt -81.24 -17.15 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -107.61 15.23 24.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -114.12 -47.7 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.9 m -93.59 168.11 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 92.5 t -140.79 126.63 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.93 139.76 33.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -176.29 119.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.572 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 -49.14 161.66 0.43 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 112.49 3.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.541 1.811 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.37 53.86 1.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.103 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -119.69 -175.75 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -113.28 -44.3 3.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -124.56 163.88 33.99 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.467 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.01 128.35 11.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 45.0 mtp -55.06 156.53 3.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.28 123.62 34.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.404 ' C ' ' N ' ' A' ' 73' ' ' ASN . 1.9 mt -66.79 -32.89 74.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -44.42 -26.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 71' ' ' LEU . 8.2 m-20 -70.94 148.44 94.55 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.92 27.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 8.1 m -57.36 -19.51 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -15.81 30.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -102.01 -5.53 24.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.1 m -121.19 29.86 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.3 70.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.07 -67.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.97 178.12 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.3 m -93.46 133.24 36.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mt -93.89 174.68 7.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.501 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 53.2 t -127.23 141.6 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.459 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 4.5 tp -112.65 127.54 56.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -110.95 81.55 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.7 p -58.56 158.77 14.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 155.03 42.98 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.531 1.806 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.47 4.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 169.03 125.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -164.24 122.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -114.34 -56.08 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.7 mtt -79.95 92.27 5.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.3 p -166.08 161.41 17.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.92 147.84 40.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 61.04 170.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.24 108.67 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.11 96.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.69 154.21 39.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.004 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -133.58 157.8 22.94 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 179.5 6.03 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.546 1.814 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.62 160.54 28.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.055 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p -160.17 170.15 21.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.004 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.65 168.04 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.68 153.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.88 160.41 33.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.63 166.34 26.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.6 163.0 29.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.058 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.15 -138.77 14.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -58.8 128.11 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -148.85 176.65 10.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.23 78.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.53 37.75 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.7 mmm-85 -142.18 121.41 13.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tp -169.49 63.17 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 61.91 93.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -163.84 148.41 10.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -160.96 125.75 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.479 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.6 pp -101.91 151.27 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 8.9 m -129.43 157.98 40.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 43.8 p90 -154.71 163.29 40.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.459 ' CG ' ' HD3' ' A' ' 31' ' ' ARG . 6.3 mt-30 -102.32 156.16 17.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -128.9 152.06 48.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -112.27 95.17 5.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.7 73.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.464 ' CG2' HG12 ' A' ' 84' ' ' VAL . 41.8 t -48.33 -24.38 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.73 -66.0 1.38 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -52.82 -35.82 57.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.8 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 4.8 mt-10 82.69 49.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -166.95 157.12 11.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.7 t -90.51 151.45 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -144.44 163.35 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HD3' ' CG ' ' A' ' 20' ' ' GLN . 4.8 tpp180 -122.45 145.41 48.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.579 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.8 mt -130.43 134.23 62.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.455 ' CA ' HG22 ' A' ' 18' ' ' THR . 0.7 OUTLIER -123.14 129.8 51.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.973 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.3 156.74 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.91 151.08 3.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.4 Cg_endo -74.94 -58.23 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.528 1.804 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' PRO . 75.5 p -38.28 -50.97 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.425 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.2 mttm -44.17 166.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -94.03 -179.1 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 mt -79.92 -24.47 41.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' N ' ' HB3' ' A' ' 71' ' ' LEU . 6.3 pt20 -85.8 -38.76 17.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.254 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 1.9 mm-40 -75.12 -24.7 58.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.24 -24.57 25.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.41 -12.5 24.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.525 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.98 -50.43 88.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.0 Cg_endo -75.07 -3.05 13.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.452 1.764 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.45 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 17.0 mm -100.58 -48.79 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.467 ' CD1' ' CD2' ' A' ' 55' ' ' LEU . 35.5 mt -65.47 -44.81 86.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.04 -36.97 80.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -81.32 -11.65 59.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 31.3 m80 -112.46 7.76 19.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.562 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 59.71 20.53 52.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.541 1.151 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' LEU . 32.4 mt -94.61 -170.94 2.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.3 m -145.67 162.15 38.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 25.7 mt -78.16 -32.21 50.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -96.16 37.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -137.28 -54.69 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.0 m -83.94 140.48 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 85.0 t -107.46 109.23 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.14 133.41 35.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -176.03 139.9 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -59.5 167.96 2.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 139.8 24.72 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 43.33 68.54 0.79 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.041 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -107.49 -97.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.36 -39.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -149.01 168.28 11.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.02 127.22 10.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.8 mtm -67.98 154.57 41.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -92.2 122.06 34.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.412 ' HB3' ' N ' ' A' ' 41' ' ' GLN . 2.7 mt -56.44 -19.69 16.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.58 -30.69 13.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -68.36 147.16 98.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 146.6 32.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 17.1 m -62.78 -16.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.0 p -62.42 -13.88 34.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.93 -33.09 12.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 27.3 m -94.98 39.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -119.58 71.27 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.02 -66.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -89.2 171.25 9.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.4 m -93.04 130.79 38.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.397 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 69.8 mt -84.95 174.19 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.464 HG12 ' CG2' ' A' ' 24' ' ' VAL . 70.0 t -135.85 117.78 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 1.5 tm? -99.68 140.5 33.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -125.13 80.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.0 p -48.5 157.11 0.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 160.61 39.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.799 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -75.02 56.19 4.19 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 89' ' ' PRO . 1.6 m-20 160.49 126.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -151.2 -59.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt 55.55 99.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -151.59 155.55 38.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.84 99.77 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.82 75.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.0 146.86 27.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -171.84 111.56 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.88 163.27 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 95.9 p -129.08 142.99 50.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.36 97.35 0.94 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 168.93 23.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.15 160.79 37.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.35 170.72 8.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.95 160.36 21.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 109.998 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 179.54 166.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.96 128.26 1.58 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -163.15 115.47 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.975 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.53 146.1 3.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.89 141.91 3.29 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -148.34 165.84 29.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -122.4 176.15 6.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.464 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 0.0 OUTLIER 176.43 72.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' A' ' 10' ' ' GLU . 16.8 m 47.06 -171.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.94 139.62 31.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -158.37 -57.23 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -179.13 109.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -160.47 115.53 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -140.35 129.78 24.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.42 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.7 pp -103.98 155.37 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 m -134.8 152.93 52.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 45.5 p90 -153.89 163.99 39.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.09 160.86 14.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -131.0 140.48 50.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 83' ' ' LEU . 1.4 tt0 -95.3 112.63 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 26' ' ' LEU . 5.2 mt -84.46 69.49 10.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.454 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 84.5 t -39.24 -63.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -49.78 -38.0 29.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -96.83 -155.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 0.783 . . . . 0.0 109.351 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 27' ' ' GLU . 1.2 pt-20 -150.71 67.15 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -170.58 142.29 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.7 t -90.72 115.34 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.14 157.05 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -116.53 146.1 42.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 7.9 mt -131.01 129.34 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.5 p -121.21 135.85 55.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.44 160.42 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.488 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -51.87 150.39 7.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.97 -59.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.2 p -37.98 -48.97 1.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.2 mttm -45.27 168.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -94.0 -176.46 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.401 ' CD1' HG12 ' A' ' 78' ' ' VAL . 1.7 mt -82.85 -26.85 31.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -85.71 -37.69 19.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.0 mm-40 -72.95 -24.72 60.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.93 -23.24 25.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -94.82 -18.82 20.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.535 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -52.05 -49.83 82.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.0 -2.93 13.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.469 HG23 ' CE1' ' A' ' 51' ' ' HIS . 21.6 mm -100.7 -49.73 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 52' ' ' GLY . 18.2 mt -61.02 -47.61 85.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.38 73.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.21 -3.1 58.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.469 ' CE1' HG23 ' A' ' 47' ' ' ILE . 41.4 m80 -123.63 7.39 8.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 62.01 23.8 64.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.69 -163.83 1.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 0.752 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.0 m -155.57 173.84 16.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.033 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.8 mt -85.02 -26.53 26.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -98.57 37.91 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -139.54 -55.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.457 ' HB ' ' CD1' ' A' ' 85' ' ' LEU . 10.8 m -83.75 138.22 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.1 t -111.97 109.07 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.5 137.3 32.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -169.17 115.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.622 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.02 159.68 0.26 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 103.97 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.6 -51.31 0.84 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -46.48 161.84 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.774 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -97.22 -73.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.17 165.06 47.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 127.23 10.49 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.11 173.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -112.49 110.6 20.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.89 -25.12 26.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -49.42 -23.87 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -74.65 147.67 84.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.33 25.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 12.4 m -55.34 -19.61 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.2 p -55.69 -33.85 64.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.54 -38.98 54.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 17.7 m -92.51 46.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -125.99 78.14 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.54 -59.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.987 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -96.53 168.79 10.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.6 m -88.7 129.71 35.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 22' ' ' GLU . 23.4 mt -86.41 171.8 10.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.454 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 46.4 t -126.79 139.94 50.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -122.18 139.59 53.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -125.38 83.46 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.4 p -55.29 156.85 7.26 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.85 42.08 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 56.47 4.25 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.459 1.768 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 t0 174.7 99.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -152.23 -72.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.91 129.92 4.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 mtt -55.8 -47.31 77.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.33 81.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.964 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.24 122.9 9.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.51 162.29 13.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -158.91 142.03 14.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.9 m 55.93 85.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.9 -179.04 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.77 101.77 1.17 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 160.95 39.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.8 m 43.91 81.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.997 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.8 p -130.11 96.98 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -160.07 168.58 25.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 0.761 . . . . 0.0 109.952 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 t -152.42 161.1 43.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 110.029 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.22 167.51 14.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 m 61.08 158.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -179.56 161.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.033 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.2 179.7 48.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.35 160.26 15.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -127.12 171.58 11.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 176.6 123.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 m -141.63 -55.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.26 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.6 mmt-85 -135.75 87.67 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 53.32 90.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -124.89 94.21 4.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -130.91 155.15 47.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.03 124.94 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 pp -103.03 160.2 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.1 m -135.93 154.14 51.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 51.2 p90 -153.89 163.64 39.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.18 162.87 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -134.7 146.01 49.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.9 tt0 -103.29 111.92 24.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.427 ' CD1' HG11 ' A' ' 30' ' ' VAL . 5.8 mt -84.14 73.39 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.466 HG21 ' CG1' ' A' ' 84' ' ' VAL . 91.4 t -47.95 130.2 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.77 52.02 2.91 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.453 1.096 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER 171.76 -33.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 70.53 64.6 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.47 128.81 17.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.4 t -99.83 120.14 48.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.427 HG11 ' CD1' ' A' ' 23' ' ' LEU . 2.1 m -108.88 160.18 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.19 142.76 46.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.584 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 9.5 mt -128.45 133.41 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.9 p -122.31 135.86 54.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.4 161.66 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.495 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -54.61 152.01 13.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.01 -56.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' PRO . 21.2 p -38.54 -57.15 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.469 ' CE ' ' HE3' ' A' ' 35' ' ' LYS . 1.2 tttm -41.12 160.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -90.55 -175.85 4.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' CD1' HG12 ' A' ' 78' ' ' VAL . 3.7 mt -78.04 -21.15 51.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -87.5 -40.38 14.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 30.9 mt-10 -73.48 -24.47 60.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.35 -28.26 21.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.97 -8.73 39.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.541 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -62.31 -49.52 83.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.08 -4.53 15.52 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.474 HG23 ' CE1' ' A' ' 51' ' ' HIS . 19.9 mm -101.46 -56.24 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.45 ' CD1' HD23 ' A' ' 55' ' ' LEU . 64.6 mt -58.83 -43.31 90.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.26 96.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -79.52 -4.13 49.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.474 ' CE1' HG23 ' A' ' 47' ' ' ILE . 26.4 m80 -115.93 10.38 15.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.618 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.63 12.92 36.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' LEU . 44.7 mt -90.29 -163.52 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 0.725 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -158.07 161.29 38.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.45 HD23 ' CD1' ' A' ' 48' ' ' LEU . 15.6 mt -76.69 -33.32 58.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.27 36.16 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -135.52 -54.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.5 m -82.37 173.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 17.2 t -136.7 133.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.3 OUTLIER -111.45 140.81 45.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -175.45 114.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.597 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.03 157.42 0.64 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 89.74 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.438 1.757 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.98 -47.62 0.63 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -51.71 166.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -126.06 59.28 1.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.412 ' OE1' ' NZ ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER 172.4 158.14 0.25 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -74.97 106.17 2.22 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.447 1.762 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -58.35 95.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -40.27 150.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.67 36.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -94.55 -31.15 14.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -73.93 149.24 87.58 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.83 27.05 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 9.1 m -51.45 -22.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.8 p -52.81 -32.55 44.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -79.46 -39.45 32.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 5.2 m -89.63 43.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -127.58 56.29 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 t -150.47 -57.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.045 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.31 -173.83 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.7 m -96.15 139.82 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 22' ' ' GLU . 97.7 mt -97.76 168.74 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.466 ' CG1' HG21 ' A' ' 24' ' ' VAL . 58.2 t -126.22 135.39 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -114.9 137.8 51.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.409 ' N ' ' CD1' ' A' ' 85' ' ' LEU . 5.9 t70 -122.9 90.81 3.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.5 p -57.43 157.02 14.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.3 38.96 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.62 4.33 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' LYS . 1.6 p-10 175.13 -47.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 69.5 -65.66 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 90' ' ' ASP . 6.8 tptt -148.94 -61.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -38.5 134.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.51 177.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -42.46 160.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 60.51 -174.27 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.8 143.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.1 t 69.7 -70.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 m 73.48 -170.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 71.62 82.63 0.26 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -49.12 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.471 1.774 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.8 p -166.55 172.69 10.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.9 t -66.78 138.86 57.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.985 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.13 -58.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 p 56.68 167.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.965 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.36 155.78 9.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p -177.93 166.03 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 110.007 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.18 170.05 3.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.9 136.75 5.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -169.89 123.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -178.09 166.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -131.7 146.93 52.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.26 169.4 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.42 120.37 1.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 60.07 169.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -167.16 116.66 0.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -70.73 162.74 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -141.56 126.97 18.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.41 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.7 pp -98.57 155.16 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 4.3 m -129.87 155.12 46.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 46.8 p90 -152.9 161.02 43.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.413 ' OE1' ' NE ' ' A' ' 31' ' ' ARG . 1.6 mt-30 -101.28 158.53 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.2 147.46 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 83' ' ' LEU . 1.4 tt0 -105.2 97.6 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' LEU . 17.9 mt -70.75 69.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.597 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 25.4 t -39.62 -36.66 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.27 -46.37 63.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.462 ' CD2' ' HD3' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -134.35 129.67 35.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.3 99.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 7.9 ptm180 179.94 143.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.6 t -106.85 126.68 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -111.25 164.92 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.413 ' NE ' ' OE1' ' A' ' 20' ' ' GLN . 12.6 tpp85 -127.88 139.47 52.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 11.1 mt -124.39 137.91 55.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.468 ' CA ' HG21 ' A' ' 18' ' ' THR . 0.8 OUTLIER -125.54 124.45 41.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.46 162.41 24.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -55.88 150.07 30.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.97 -56.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.523 1.801 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' PRO . 7.7 p -38.05 -51.23 1.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -45.83 169.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -94.64 -177.43 4.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.43 ' CB ' ' HA ' ' A' ' 71' ' ' LEU . 1.2 mt -81.61 -28.12 33.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -83.54 -37.69 22.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.485 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -73.78 -24.89 59.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.48 -24.04 25.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.02 -14.67 24.12 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.523 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.71 -50.65 85.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.5 Cg_endo -74.99 -3.22 13.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 18.3 mm -100.27 -46.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' CD1' HD21 ' A' ' 55' ' ' LEU . 7.9 mt -65.81 -47.03 76.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.45 76.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.71 -16.32 54.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 35.9 m80 -108.73 7.9 26.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 63.1 11.47 38.87 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' LEU . 16.2 mt -87.6 -168.86 2.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.456 ' HB2' ' CG ' ' A' ' 57' ' ' GLN . 67.9 m -153.03 166.52 32.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.447 HD21 ' CD1' ' A' ' 48' ' ' LEU . 19.1 mt -79.92 -28.76 39.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -100.62 30.56 3.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 69.1 mm-40 -131.76 -47.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 m -94.84 148.62 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.2 t -117.54 130.79 71.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.4 146.75 30.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -175.27 116.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.582 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -46.22 161.26 0.27 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.347 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.432 ' CA ' HG21 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.01 101.88 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.55 -46.38 1.08 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -54.29 164.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.16 -70.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.85 160.15 48.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.254 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.38 24.15 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.8 172.1 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -106.48 122.87 47.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.43 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.4 mt -73.65 -27.91 61.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -52.12 -20.86 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -75.89 149.52 82.98 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.06 22.54 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 15.6 m -55.91 -20.23 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.0 t -54.51 -26.94 34.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.964 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -39.34 23.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 34.3 m -92.53 45.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.33 72.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.95 -60.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.99 165.43 15.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.3 m -93.59 135.07 35.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' GLU . 4.8 mt -96.78 165.48 12.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.597 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 47.2 t -124.77 123.25 65.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.411 ' CD1' ' C ' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -103.81 137.28 42.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.41 95.43 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.411 ' N ' HD13 ' A' ' 85' ' ' LEU . 39.9 p -58.64 158.84 14.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.68 15.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.86 4.07 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.8 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -172.62 -170.87 0.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.86 97.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -90.29 129.05 36.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.19 173.4 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.29 100.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.74 172.97 6.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.53 177.36 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.74 138.8 19.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -179.01 157.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.6 p -47.04 114.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -124.33 157.32 18.65 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -179.05 4.6 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.449 1.763 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.3 p -153.77 168.09 27.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.7 p -111.67 156.88 21.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t 61.42 143.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 0.766 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -164.2 -58.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.12 133.48 2.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.57 109.81 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.979 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.02 148.29 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.05 95.27 1.58 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.28 105.56 7.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -174.72 54.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 73.44 173.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.6 t 62.76 148.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 61.98 156.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.84 -63.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 59.02 88.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -112.98 158.51 20.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.3 mtm-85 -40.8 127.7 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.484 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.6 pp -101.67 152.17 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -128.78 153.59 47.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.586 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 47.3 p90 -153.72 163.81 39.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -101.42 164.17 11.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -140.25 136.07 32.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.9 tt0 -92.07 116.19 28.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.65 74.11 8.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.0 t -50.82 113.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.245 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.88 -85.64 0.23 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.506 ' O ' ' CD1' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -63.38 -15.4 57.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.781 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 65.08 97.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.457 ' HD2' ' CD2' ' A' ' 26' ' ' LEU . 2.2 ptm85 179.87 163.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.0 t -118.96 130.24 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.24 166.36 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -125.23 140.95 52.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.586 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 8.5 mt -127.4 132.82 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 p -121.39 132.4 54.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -174.61 151.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.58 152.34 0.7 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.03 -58.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 36' ' ' PRO . 67.9 p -38.5 -51.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.4 mttm -43.62 164.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.9 mtm-85 -91.79 -177.34 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mt -81.33 -23.98 37.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 8.1 pt20 -84.89 -42.71 14.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.9 mm-40 -71.96 -24.41 61.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.255 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.72 -25.28 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.83 -9.78 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.545 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -58.32 -49.04 95.77 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.339 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.96 -4.22 15.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.447 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 20.9 mm -100.99 -49.54 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.465 HD11 ' CD2' ' A' ' 55' ' ' LEU . 41.0 mt -68.69 -25.52 64.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.14 -36.14 40.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.66 1.08 53.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 28.7 m80 -120.72 5.61 10.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.64 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.53 15.32 46.13 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' LEU . 14.4 mt -89.35 -165.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.1 m -151.71 156.13 39.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.465 ' CD2' HD11 ' A' ' 48' ' ' LEU . 22.1 mt -71.15 -23.38 62.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -103.9 36.09 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -134.69 -46.97 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.1 m -89.03 145.12 7.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.25 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 47.1 t -117.51 114.56 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.38 140.72 29.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -177.7 117.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.427 ' HG3' ' CD2' ' A' ' 83' ' ' LEU . 2.7 mtp180 -53.08 162.88 0.97 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 88.71 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.9 48.17 0.37 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -114.07 -176.08 2.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 0.767 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -104.92 -68.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -108.88 161.09 24.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.467 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.4 Cg_endo -75.01 139.08 23.83 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.9 mtt -47.57 156.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.45 ' C ' ' N ' ' A' ' 72' ' ' GLU . 45.0 m-20 -110.75 19.42 18.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.432 ' CB ' ' HB3' ' A' ' 41' ' ' GLN . 7.2 mt 40.27 29.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' N ' ' C ' ' A' ' 70' ' ' ASP . 2.1 mm-40 -102.2 -22.99 14.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -83.55 151.54 62.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.3 Cg_endo -74.99 135.58 19.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 11.7 m -46.51 -25.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 74' ' ' PRO . 54.8 p -51.52 -28.76 14.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.85 -29.38 32.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 19.6 m -106.33 51.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.08 70.7 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 t -176.2 -68.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -82.61 170.08 15.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -86.27 131.53 34.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.444 ' CD1' ' HB ' ' A' ' 78' ' ' VAL . 73.8 mt -94.1 159.04 15.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 69.5 t -122.43 129.78 75.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.467 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 1.7 tm? -115.27 144.5 43.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.82 86.96 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.8 p -56.66 157.64 9.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 110.408 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 166.25 29.56 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.788 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 162.73 36.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 t0 48.15 93.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -161.75 142.15 10.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.84 146.01 27.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -167.17 -53.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.9 t -168.8 -57.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.06 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -176.03 162.78 2.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.5 -61.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? 42.54 87.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.6 t -146.33 157.76 43.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.03 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.42 147.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.06 -85.23 1.79 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.77 8.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -168.67 168.95 10.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.954 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.8 p -53.03 167.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.99 129.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 110.034 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -165.48 170.73 14.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 110.047 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.49 -156.78 7.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -173.36 149.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.0 p -168.12 164.56 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.68 -141.46 5.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.27 168.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -51.32 165.43 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -130.05 117.63 20.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.2 t -127.95 -65.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' GLU . 43.9 mmt-85 -62.32 -49.5 75.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 14' ' ' GLU . 0.3 OUTLIER 64.52 -78.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 3.8 tt0 83.1 -50.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -40.51 159.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.32 132.01 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pp -101.15 148.91 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 6.9 m -127.43 157.67 39.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 47.7 p90 -154.84 163.27 40.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.3 154.13 19.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -127.59 146.89 50.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -105.02 111.27 23.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 mt -80.57 76.76 7.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.466 HG22 ' CG1' ' A' ' 84' ' ' VAL . 80.5 t -54.02 114.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.13 -40.45 2.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.01 -27.18 30.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 67.97 71.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.43 ' CB ' ' CZ ' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -173.07 160.52 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.4 t -116.37 124.65 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -109.94 163.3 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -118.96 147.4 44.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.578 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 10.1 mt -132.53 136.1 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -122.31 133.77 54.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.038 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -175.88 156.3 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -52.19 151.73 6.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.05 -58.75 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' PRO . 8.3 p -38.45 -49.69 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.391 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.468 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.4 mttm -44.56 164.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.3 mtm180 -91.86 179.31 5.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mt -77.31 -25.85 51.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 45' ' ' GLN . 12.2 pt20 -85.61 -41.03 15.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.6 mm-40 -71.88 -25.41 61.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.454 ' CB ' HG11 ' A' ' 75' ' ' VAL . . . -86.63 -25.68 24.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.99 -15.32 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.536 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.0 -49.88 87.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -74.98 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 14.9 mm -100.53 -46.28 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 53' ' ' LEU . 15.7 mt -67.82 -37.66 82.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.16 -33.56 74.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 1.06 55.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 29.0 m80 -125.45 8.13 7.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.592 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.52 19.73 42.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' LEU . 66.5 mt -93.59 -168.95 2.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.37 163.71 38.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' HG ' ' CD1' ' A' ' 48' ' ' LEU . 5.7 mt -82.01 -21.48 37.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -101.55 16.74 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -118.18 -57.87 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.1 m -82.4 151.4 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.352 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.9 t -122.68 114.29 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.461 ' CD1' ' C ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -95.24 137.29 34.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -176.01 123.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.4 mtt-85 -41.65 158.54 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.47 ' CB ' HG22 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.04 106.25 2.24 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.521 1.801 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.65 -53.65 0.8 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -50.01 164.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 0.807 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.33 -69.39 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.473 ' CG ' ' HD2' ' A' ' 68' ' ' PRO . 0.2 OUTLIER -56.35 149.76 36.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 67' ' ' GLN . 18.1 Cg_endo -75.02 127.95 11.08 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.496 1.788 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.406 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -66.56 97.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -40.24 149.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 mt -97.89 22.77 8.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -85.77 -19.9 30.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -83.76 152.06 62.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.97 22.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 9.6 m -47.36 -26.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.5 p -46.18 -33.09 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -40.59 60.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.405 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 3.4 m -89.01 44.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -127.69 77.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.0 t -178.53 -55.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -106.43 176.44 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.3 m -91.29 137.75 32.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.404 ' HB3' ' CD2' ' A' ' 60' ' ' LEU . 83.1 mt -94.11 175.16 6.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.47 HG22 ' CB ' ' A' ' 63' ' ' PRO . 93.4 t -132.5 130.4 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 1.4 tm? -110.74 141.8 43.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -129.17 89.27 2.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.4 p -61.2 157.4 43.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.388 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.78 15.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -54.66 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -94.21 102.84 14.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -169.89 131.27 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.66 -66.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.21 170.32 15.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.89 -57.6 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.059 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -178.89 87.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -175.5 -179.39 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.81 -59.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.61 102.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.7 p -59.05 93.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.35 157.33 28.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.78 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.787 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.3 159.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.26 -58.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.76 168.98 21.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 110.005 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -178.32 142.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.95 156.83 8.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -177.96 145.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.79 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.15 170.38 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.72 161.81 9.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -173.36 126.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -158.23 172.62 18.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.14 80.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.0 m -118.02 165.16 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.96 130.67 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 tp -174.39 165.55 3.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -158.53 90.64 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -154.59 120.99 5.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -39.33 127.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 1.9 pp -105.78 158.95 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 16.0 m -134.28 159.63 40.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 51.1 p90 -154.7 163.19 40.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.27 160.02 14.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.407 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -137.33 150.77 47.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -107.84 120.94 43.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -91.45 74.07 6.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.463 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 14.7 t -50.14 131.04 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.88 -33.02 6.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.05 -29.04 16.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 64.02 75.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -177.3 135.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t -92.25 139.44 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -124.6 167.95 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -126.9 141.75 51.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 6.7 mt -128.58 131.47 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.9 p -119.32 137.03 53.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.031 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.73 158.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -54.26 152.24 11.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.97 -58.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.517 1.799 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 36' ' ' PRO . 17.1 p -37.79 -53.77 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 2.0 mttt -42.83 163.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -89.04 -176.1 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' CB ' ' HA ' ' A' ' 71' ' ' LEU . 1.1 mt -83.45 -27.06 29.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -84.51 -36.35 22.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.9 mm-40 -74.83 -27.1 60.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.05 -24.66 28.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -92.97 -12.95 29.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.526 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.54 -50.38 88.11 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.98 -3.25 13.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 17.8 mm -100.71 -45.23 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 53' ' ' LEU . 6.0 mt -69.8 -34.52 73.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.31 -36.84 79.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.79 -1.01 57.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 24.0 m80 -120.8 5.47 10.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.591 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.46 19.18 46.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.445 1.09 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' LEU . 30.0 mt -91.73 -165.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.3 m -156.68 163.22 39.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.58 -21.03 42.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.61 32.29 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -134.44 -46.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 m -92.53 161.34 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 38.7 t -132.01 113.48 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -88.7 139.01 30.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -172.91 128.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.56 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.09 165.09 11.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 102.33 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.537 1.809 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.99 -52.06 0.84 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -39.53 147.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -71.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.42 ' O ' ' NE2' ' A' ' 67' ' ' GLN . 1.3 pm0 -76.78 161.73 72.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.448 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -74.98 131.05 13.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -53.64 159.89 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.94 122.25 42.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.41 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.2 mt -65.31 -24.59 67.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -50.72 -28.13 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -71.46 148.05 93.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 140.31 25.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 16.8 m -55.35 -19.77 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -58.92 -18.73 36.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.951 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.2 -13.59 24.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.436 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 13.4 m -120.95 46.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.458 ' HB2' ' CD1' ' A' ' 17' ' ' ILE . . . -107.2 33.52 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -155.26 -176.45 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.028 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' SER . 45.4 mt-30 41.65 -163.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.2 m -129.05 126.83 40.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.447 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.9 mt -84.19 164.46 19.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.463 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 58.7 t -125.06 113.22 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.407 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 3.4 tm? -97.24 137.49 36.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.5 90.36 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.404 HG23 ' CD1' ' A' ' 85' ' ' LEU . 37.9 p -57.68 158.35 12.08 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.386 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.08 43.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 56.09 4.15 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.476 1.777 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 168.2 102.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -166.07 102.83 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -108.75 103.73 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -154.08 99.31 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 t -175.91 -60.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.06 -60.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -168.55 172.09 8.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -156.38 101.68 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -54.38 118.05 3.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 100' ' ' GLY . 13.5 t -175.78 105.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 99' ' ' SER . . . -37.58 98.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.47 33.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.483 1.781 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 m -149.65 121.2 7.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.6 p -99.21 -58.28 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t 63.36 151.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 110.052 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.89 169.13 16.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.027 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.87 -168.61 21.19 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -159.05 162.24 36.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 110.028 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.49 160.93 40.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.39 168.18 12.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.08 157.56 46.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -106.89 165.46 11.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -131.19 82.12 2.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.1 t -78.42 -96.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 38.91 82.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 mt 54.24 78.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.16 128.65 36.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -122.43 164.92 17.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.89 130.1 39.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.403 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.7 pp -101.92 153.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 6.1 m -128.46 156.65 42.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.379 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 48.7 p90 -154.19 162.05 41.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.419 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -101.11 163.95 12.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.27 143.87 38.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.23 114.01 27.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mt -85.45 69.67 10.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.473 HG22 ' CG1' ' A' ' 84' ' ' VAL . 93.2 t -40.6 148.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.93 -30.81 5.61 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.4 ' O ' ' CD1' ' A' ' 26' ' ' LEU . 8.2 tp -118.78 1.18 11.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 38.87 48.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -115.76 133.52 55.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.3 t -100.17 124.27 53.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -117.38 162.08 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -120.89 140.3 52.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.578 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 10.1 mt -126.23 137.44 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.2 p -121.92 136.28 54.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.54 164.09 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -61.96 152.91 75.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.99 -55.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.427 1.751 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' PRO . 27.8 p -38.32 -54.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.484 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -45.03 166.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -92.32 -175.42 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.418 ' CB ' ' HA ' ' A' ' 71' ' ' LEU . 1.3 mt -83.0 -26.65 31.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.422 ' HB3' ' CB ' ' A' ' 71' ' ' LEU . 7.5 pt20 -83.78 -39.16 20.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.484 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.4 mm-40 -73.42 -25.85 60.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.34 -25.04 29.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -92.86 -15.76 26.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.529 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -52.96 -50.16 83.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.03 -3.08 13.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.777 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.414 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 15.1 mm -100.08 -47.92 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLY . 14.9 mt -62.58 -49.61 74.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.88 75.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -11.7 59.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 44.2 m80 -115.66 7.09 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.594 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 64.24 14.04 55.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' LEU . 14.1 mt -91.89 -163.91 1.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.76 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.4 m -154.48 175.33 13.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.941 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.436 ' HG ' ' CD1' ' A' ' 48' ' ' LEU . 23.4 mt -86.55 -23.75 25.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -102.1 30.25 4.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -131.42 -53.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.1 m -87.34 137.25 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 89.8 t -109.45 121.89 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 61' ' ' HIS . 2.1 tm? -98.15 139.6 33.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.415 ' N ' HD13 ' A' ' 60' ' ' LEU . 1.1 p80 -177.6 121.79 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 109.637 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -52.29 161.31 1.06 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 105.71 2.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.778 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.43 -54.25 0.76 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -45.75 160.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 0.801 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.78 -69.41 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.32 162.8 67.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.467 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.01 132.95 15.98 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.778 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -176.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -116.99 132.48 56.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 41' ' ' GLN . 2.9 mt -83.4 -41.13 18.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -41.29 -28.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 71' ' ' LEU . 67.3 m-20 -67.12 152.24 96.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 139.58 24.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 10.9 m -58.73 -23.05 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.59 -25.47 17.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.5 -33.08 23.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.958 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 29.7 m -100.54 42.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -126.65 66.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.92 -52.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -101.83 177.72 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -94.23 142.3 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.2 mt -105.74 168.99 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.473 ' CG1' HG22 ' A' ' 24' ' ' VAL . 89.3 t -127.56 129.18 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 86' ' ' ASP . 3.4 tm? -108.68 139.78 43.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.404 ' N ' HD11 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -124.1 95.49 4.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.6 p -64.64 157.66 72.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.373 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 154.96 43.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.86 4.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.4 t0 175.39 91.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.65 -64.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.25 -63.99 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.05 169.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 m -124.0 150.98 44.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -38.98 105.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -99.22 173.92 6.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.62 87.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -112.72 154.88 25.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.27 164.51 13.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.11 119.77 0.88 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.093 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.17 27.63 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.4 p -99.22 179.06 4.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.044 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.5 p -134.07 163.98 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -168.67 170.04 9.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -165.98 170.3 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.34 -171.35 15.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -159.72 170.47 21.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.96 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.5 p -160.2 160.3 32.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.005 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.75 164.36 13.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.6 -50.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.766 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 59.23 163.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -128.59 141.88 51.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.3 t -136.74 -51.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.16 -41.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 58.05 89.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -99.56 71.16 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -153.37 162.03 41.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.86 125.31 3.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.455 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.5 pp -102.37 158.15 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 10.2 m -137.91 158.36 44.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.577 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 46.2 p90 -154.49 165.69 35.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 26.2 mt-30 -101.18 152.67 20.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -126.51 141.08 52.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -98.13 110.85 23.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' LEU . 4.9 mt -81.9 70.26 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.521 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 40.2 t -39.83 -69.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.36 -32.25 1.74 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -103.68 -157.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -148.48 72.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -178.22 132.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.9 t -81.42 118.39 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -101.33 155.63 4.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.464 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 15.3 tpp85 -113.88 150.1 34.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.577 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.4 mt -132.75 132.1 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.7 p -120.9 131.04 54.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.46 153.65 2.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.11 151.75 2.25 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.03 -59.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' PRO . 6.6 p -37.7 -50.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -44.97 161.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -87.15 179.43 6.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.416 ' CB ' ' HA ' ' A' ' 71' ' ' LEU . 1.2 mt -78.99 -29.05 43.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -83.63 -34.04 25.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 42.1 mm-40 -76.59 -25.25 53.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.93 -23.78 25.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -94.62 -17.82 21.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.529 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -52.19 -50.16 80.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.01 -3.19 13.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 20.8 mm -100.24 -43.38 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 53' ' ' LEU . 11.8 mt -71.09 -35.74 71.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.84 -24.6 63.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -16.07 22.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 51.1 m80 -109.32 7.14 25.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.629 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.66 28.28 59.82 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 48' ' ' LEU . 42.6 mt -101.1 -170.42 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.04 156.21 41.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.408 HD21 ' CD1' ' A' ' 48' ' ' LEU . 11.5 mt -71.46 -29.53 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.27 7.67 44.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -106.13 -60.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.6 m -83.9 141.85 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.4 t -108.98 119.73 59.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -89.97 138.01 31.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.415 ' N ' HD13 ' A' ' 60' ' ' LEU . 3.7 p80 -176.19 137.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.56 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -66.35 165.1 25.4 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 106.98 2.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.93 -40.04 1.97 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -63.51 141.86 58.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.76 -22.35 17.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.476 ' CG ' ' HD2' ' A' ' 68' ' ' PRO . 5.8 tt0 -96.76 141.63 23.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 67' ' ' GLN . 18.3 Cg_endo -74.97 126.47 10.01 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.1 mtp -63.27 139.85 58.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.25 123.25 24.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.416 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.3 mt -68.86 -25.66 64.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -52.87 -21.06 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -75.67 151.81 84.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 142.94 28.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 13.0 m -62.09 -15.23 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 t -58.97 -29.94 67.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.93 -31.18 27.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 m -97.24 40.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.244 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -125.84 59.99 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.71 -59.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -98.35 173.78 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -89.92 139.55 30.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 19' ' ' PHE . 8.1 mt -100.37 168.89 9.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.521 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 92.9 t -128.31 123.38 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.46 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 2.1 tm? -94.92 139.74 30.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.93 94.31 4.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.443 HG22 ' CD1' ' A' ' 85' ' ' LEU . 27.9 p -66.92 157.42 84.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.374 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.41 38.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 57.75 4.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.81 -52.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.59 62.57 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.54 175.57 11.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.8 ttt -46.9 -59.2 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 67.87 153.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 110.045 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -152.1 142.56 22.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.77 148.51 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 179.51 154.66 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.17 -56.14 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 75.55 -60.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.39 97.29 0.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 176.11 10.35 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.5 1.789 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.63 166.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.053 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.9 t -174.29 101.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p -158.94 166.72 31.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.973 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.4 p -164.08 142.62 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.027 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.0 -151.33 23.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.97 157.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 110.031 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -164.64 167.57 19.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.27 -139.51 11.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.69 160.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 60.78 164.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -131.17 154.87 47.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.421 HG21 ' CD ' ' A' ' 12' ' ' ARG . 15.2 m -70.59 167.6 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.421 ' CD ' HG21 ' A' ' 11' ' ' VAL . 4.6 mtp180 60.94 104.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.19 79.64 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 78.06 -62.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.253 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 169.15 164.32 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 -47.47 129.78 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 pp -102.14 157.87 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 7.5 m -137.16 158.27 44.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 41.2 p90 -155.24 166.45 33.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 8.1 mt-30 -101.21 157.32 16.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -130.89 137.36 49.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -96.64 115.03 26.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' VAL . 5.8 mt -83.3 70.12 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.487 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 94.8 t -39.63 108.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.89 11.06 9.46 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.453 1.096 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.93 159.8 41.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -105.68 64.09 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.8 128.69 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 74.8 t -98.99 103.51 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 m -80.32 151.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 3.0 tpp85 -114.41 151.05 33.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.246 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.568 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 10.8 mt -132.31 133.16 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.7 p -122.81 135.04 54.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.68 161.46 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.26 153.86 24.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -54.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.1 p -38.63 -56.05 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.2 mttm -43.34 164.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -92.44 -174.82 3.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.433 ' CD1' HG11 ' A' ' 78' ' ' VAL . 1.8 mt -82.97 -22.42 33.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.401 ' N ' ' HB3' ' A' ' 71' ' ' LEU . 17.9 pt20 -88.99 -35.72 16.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.431 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 14.7 mm-40 -77.92 -26.85 49.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.94 -25.14 32.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -92.15 -15.44 27.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.528 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.92 -50.09 80.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.5 Cg_endo -74.98 -3.06 13.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 13.6 mm -100.42 -48.0 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.369 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.44 ' CD1' HD22 ' A' ' 55' ' ' LEU . 11.4 mt -63.03 -45.01 94.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.53 -30.75 71.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -87.5 -0.58 57.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 46.0 m80 -127.11 5.52 6.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.582 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 64.54 16.3 60.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.572 1.17 . . . . 0.0 110.976 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.4 mt -94.79 -167.76 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 0.794 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.5 m -152.21 179.05 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' A' ' 48' ' ' LEU . 13.3 mt -89.86 -16.32 30.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.48 15.26 25.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -117.7 -43.97 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.54 150.47 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 76.5 t -121.43 124.94 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.45 139.13 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.283 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 84' ' ' VAL . 4.0 p80 -175.82 148.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.582 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -78.04 158.49 77.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.408 ' N ' HG23 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -75.02 101.52 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.17 -43.03 1.31 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -48.94 145.69 3.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 0.819 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -71.23 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -83.18 161.26 57.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.277 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.471 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.02 136.25 20.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.44 154.61 27.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -92.93 118.01 30.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.401 ' HB3' ' N ' ' A' ' 41' ' ' GLN . 2.2 mt -55.95 -26.33 47.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -23.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -73.84 146.39 85.31 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 138.97 23.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.793 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 16.8 m -56.53 -18.6 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -22.87 64.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.23 -16.63 27.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.433 HG11 ' CD1' ' A' ' 40' ' ' LEU . 2.9 m -112.51 34.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.54 25.21 4.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.5 p -152.52 145.28 24.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.959 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 74.53 178.08 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.448 ' OG1' ' NE2' ' A' ' 20' ' ' GLN . 48.5 m -110.41 126.22 54.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 110.396 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.5 mt -84.15 174.68 10.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.487 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 86.4 t -126.97 137.12 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.467 ' CD1' HG22 ' A' ' 87' ' ' THR . 2.7 tm? -110.4 138.97 46.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.414 ' N ' HD12 ' A' ' 85' ' ' LEU . 18.8 t0 -125.49 95.21 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.467 HG22 ' CD1' ' A' ' 85' ' ' LEU . 79.5 p -72.03 157.36 89.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 162.51 37.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 111.024 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.96 160.72 39.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 89' ' ' PRO . 0.2 OUTLIER 44.99 92.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.11 74.68 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.9 mttt 48.51 68.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.6 mtt -72.9 -56.31 5.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.6 t 43.67 75.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.953 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.38 84.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.18 144.53 40.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 177.83 89.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 m 49.09 96.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.32 -58.42 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.57 159.28 0.24 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.53 24.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.2 t -145.41 120.57 10.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.958 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.7 t 58.7 161.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.026 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.05 114.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.1 146.82 20.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.87 100.85 1.1 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.49 -56.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.71 156.88 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.98 128.93 4.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.62 -166.3 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -97.29 38.56 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 50.83 -167.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.1 t -143.33 163.42 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 55.63 166.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mt -154.1 143.49 21.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 59.68 98.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 173.65 175.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.0 128.21 20.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.421 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.8 pp -107.79 151.18 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 m -128.55 153.05 47.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 46.8 p90 -153.31 163.94 39.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.03 163.23 12.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -137.81 147.54 44.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -102.87 119.87 39.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -92.39 74.81 5.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 66.5 t -55.17 105.12 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.4 -77.59 0.22 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -71.12 -29.82 65.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.79 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 1.5 mt-10 84.32 94.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 179.79 167.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.7 t -121.51 131.27 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -116.01 162.38 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -120.44 142.35 49.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.584 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 8.8 mt -128.09 133.2 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.8 p -122.05 134.7 54.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.53 155.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.25 151.73 2.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.0 Cg_endo -75.08 -59.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . 79.3 p -37.84 -53.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -41.08 155.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' NH1' ' HD3' ' A' ' 74' ' ' PRO . 1.2 mmp_? -78.69 -175.9 4.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 mt -84.68 -26.55 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' GLN . 1.9 pt20 -84.8 -38.71 19.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.451 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 14.9 mm-40 -71.68 -24.45 61.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.463 ' CB ' HG12 ' A' ' 75' ' ' VAL . . . -86.68 -25.6 24.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.29 -16.42 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.531 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -52.8 -50.2 82.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -74.97 -3.31 13.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.426 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 16.0 mm -100.23 -42.83 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' LEU . 8.1 mt -72.79 -26.15 61.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.78 -33.66 60.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 1.49 57.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 28.7 m80 -123.58 4.47 8.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.606 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.13 25.18 56.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' LEU . 80.9 mt -97.4 -168.52 1.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.66 174.81 11.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.039 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mt -94.88 -13.54 25.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.67 7.18 18.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.24 -47.0 4.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.9 m -89.12 171.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.7 t -141.44 123.47 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.13 139.41 37.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -172.84 117.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.576 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -48.49 155.45 0.97 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 94.15 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 147.53 -42.79 0.87 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -60.02 168.93 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.309 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -101.97 -74.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -69.09 160.71 77.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.0 27.31 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.1 ptp -71.39 177.28 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -110.49 143.11 41.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.24 1.62 54.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -76.57 -2.98 35.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -98.31 152.86 38.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.41 ' HD3' ' NH1' ' A' ' 39' ' ' ARG . 18.3 Cg_endo -74.97 139.97 24.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 6.3 m -53.01 -21.63 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.5 p -52.89 -23.05 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.984 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.45 -39.86 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 16.1 m -91.99 36.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.03 58.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.5 t -161.35 -54.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -101.79 179.04 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -92.99 136.08 33.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.421 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.459 ' CD1' ' HB ' ' A' ' 78' ' ' VAL . 28.5 mt -96.19 163.24 13.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 73.8 t -127.13 119.24 52.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 87' ' ' THR . 2.6 tm? -103.5 138.2 40.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.413 ' N ' HD11 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -125.42 90.52 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.47 HG22 ' CD1' ' A' ' 85' ' ' LEU . 42.6 p -57.78 158.95 10.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.85 42.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.488 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.98 55.87 4.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 89' ' ' PRO . 0.4 OUTLIER 157.09 89.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.11 121.84 32.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.37 122.44 1.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.57 149.82 27.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.72 -57.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.62 143.41 50.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -169.17 -177.32 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 67.17 152.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -128.79 -59.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.9 t -175.06 160.68 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -139.19 67.7 0.51 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 83.58 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.471 1.774 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.4 t -163.77 145.92 9.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.037 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.35 118.44 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.7 129.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 109.984 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.62 152.91 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.952 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.06 118.34 1.46 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 p -151.9 119.42 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.992 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.04 148.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.967 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.49 -108.78 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.13 142.23 0.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -159.29 173.6 16.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.78 140.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.1 m -128.43 -45.86 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -143.7 98.47 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.43 130.76 28.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.19 122.79 18.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -178.56 -55.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.65 125.17 2.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.502 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.5 pp -105.09 152.29 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 m -130.06 156.03 45.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 49.9 p90 -154.82 166.07 34.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.15 161.8 13.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.434 HD23 ' CB ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -134.9 135.61 41.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -97.72 108.52 21.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -82.64 80.63 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 t -64.01 126.04 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.3 33.18 2.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -173.24 -40.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.754 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 1.2 tp10 86.86 90.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.446 ' CD ' HD23 ' A' ' 26' ' ' LEU . 10.0 ptm180 179.68 165.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.8 t -128.65 138.05 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 m -125.23 159.15 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 32' ' ' ILE . 23.7 ttp180 -114.81 144.32 43.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 7.0 mt -130.83 129.7 63.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.5 p -119.59 134.59 55.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.42 154.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -48.97 151.02 2.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.96 -58.86 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.543 1.812 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' PRO . 22.3 p -38.28 -48.05 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -47.53 167.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -93.31 -172.74 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.456 HD13 ' CG1' ' A' ' 78' ' ' VAL . 1.0 OUTLIER -86.59 -23.68 25.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -85.61 -39.53 17.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.477 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.6 mm-40 -75.82 -21.9 56.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' CB ' HG12 ' A' ' 75' ' ' VAL . . . -88.9 -24.1 22.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.84 -18.14 19.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.557 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -53.89 -48.3 94.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.95 -4.59 15.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 18.6 mm -101.03 -49.67 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.461 ' CD1' HD22 ' A' ' 55' ' ' LEU . 31.0 mt -68.29 -31.43 70.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.14 -28.12 63.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -96.39 1.02 51.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 28.6 m80 -121.03 8.79 10.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.556 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.78 17.54 54.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' LEU . 39.2 mt -94.53 -173.48 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.4 m -150.58 165.56 32.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.461 HD22 ' CD1' ' A' ' 48' ' ' LEU . 13.7 mt -81.55 -16.63 51.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.91 31.32 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -139.42 -62.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.7 m -66.73 149.61 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.426 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 22.0 t -126.76 105.29 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.32 139.79 30.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -174.12 115.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.57 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.458 ' HG3' ' CD2' ' A' ' 83' ' ' LEU . 3.3 mtt180 -47.35 158.55 0.47 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 98.42 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.535 1.808 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.9 37.96 0.63 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.15 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 54.4 mm-40 -125.04 -46.64 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 87.58 -55.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -82.36 160.09 63.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.98 135.93 19.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.06 167.52 21.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.5 118.85 34.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.54 -27.83 67.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -49.02 -23.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -71.14 148.22 93.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.4 Cg_endo -75.02 133.21 16.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 5.4 m -46.88 -25.92 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' PRO . 3.9 t -47.04 -27.9 1.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.991 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.5 -40.32 23.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.456 ' CG1' HD13 ' A' ' 40' ' ' LEU . 12.2 m -90.91 39.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -124.96 45.66 2.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.9 t -151.15 -62.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.984 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -94.25 158.47 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.3 m -74.41 131.14 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.458 ' CD2' ' HG3' ' A' ' 62' ' ' ARG . 32.1 mt -84.77 169.91 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 74.9 t -135.22 122.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.475 ' CD2' HG23 ' A' ' 87' ' ' THR . 0.6 OUTLIER -107.52 132.26 53.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.44 ' N ' HD23 ' A' ' 85' ' ' LEU . 7.6 t0 -111.87 61.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.475 HG23 ' CD2' ' A' ' 85' ' ' LEU . 70.8 p -45.6 156.6 0.41 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 173.32 14.72 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.2 27.66 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.34 97.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -178.34 86.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -118.42 -67.88 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.234 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 60.36 93.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.0 p -179.53 166.18 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -40.12 159.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.02 144.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -178.62 83.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.6 t 57.86 88.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.934 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.1 p -58.54 144.77 41.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -144.91 152.37 24.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 165.11 32.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.2 t -166.62 131.07 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.25 140.35 23.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -171.03 164.48 7.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.781 . . . . 0.0 110.023 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p -166.28 163.02 17.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.28 -154.61 6.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.4 164.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 0.732 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.4 164.34 37.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.137 . . . . 0.0 110.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.88 155.21 26.46 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -154.72 166.75 32.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.78 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 173.92 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.24 84.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.7 t -128.6 -64.18 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.85 152.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.63 121.51 9.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.93 114.2 8.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -137.76 82.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.02 129.84 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.469 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.5 pp -95.3 151.57 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 2.6 m -128.98 153.42 47.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.441 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 47.0 p90 -150.98 164.33 36.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.467 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 30.7 mt-30 -100.92 157.56 16.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.427 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -129.9 139.94 51.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 83' ' ' LEU . 1.8 tt0 -98.21 115.07 27.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.45 HD12 ' CG1' ' A' ' 30' ' ' VAL . 7.4 mt -88.45 68.33 8.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.525 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 83.9 t -39.69 133.32 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.6 -13.59 63.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.98 -164.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 pm0 -143.11 64.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 28' ' ' ARG . 4.6 ptp180 -161.57 130.24 4.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 91.4 t -96.28 94.95 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.45 ' CG1' HD12 ' A' ' 23' ' ' LEU . 18.5 m -71.52 147.92 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.431 ' HD3' ' CG ' ' A' ' 20' ' ' GLN . 8.9 tpp85 -113.94 149.09 35.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.5 mt -132.9 138.8 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.465 ' CB ' HG23 ' A' ' 18' ' ' THR . 0.3 OUTLIER -128.75 128.55 44.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.29 153.5 5.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.96 151.46 0.88 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.2 Cg_endo -75.08 -58.75 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.473 1.776 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.4 p -38.89 -49.6 1.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.407 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 2.1 mttt -45.31 166.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -92.99 -174.93 3.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.54 -23.81 29.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -86.47 -41.98 13.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.445 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 58.1 mm-40 -72.53 -23.3 60.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.22 -23.89 26.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.63 -15.65 21.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.535 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -52.2 -49.82 82.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.97 -3.3 13.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 13.4 mm -100.68 -46.03 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 53' ' ' LEU . 10.7 mt -68.66 -29.55 68.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.43 60.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.43 -4.35 57.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 44.8 m80 -119.02 6.19 11.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.68 19.54 49.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.562 1.164 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.7 mt -92.6 -166.18 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.3 m -148.32 172.9 13.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.3 mt -85.96 -23.45 26.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.49 28.24 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -129.82 -64.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.0 m -68.73 127.65 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -103.55 104.92 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -87.11 138.25 31.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -176.97 136.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.628 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -63.79 158.29 61.89 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 111.88 3.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.771 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.71 -46.01 1.11 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -49.11 162.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.737 . . . . 0.0 110.232 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -95.5 -70.25 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.465 ' CG ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -75.98 162.15 72.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 67' ' ' GLN . 18.2 Cg_endo -75.06 135.06 18.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.83 166.83 4.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.32 133.61 45.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.09 -24.68 58.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -51.53 -24.01 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.46 148.01 90.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.69 20.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.459 1.768 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 7.0 m -51.29 -24.65 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.4 t -49.58 -33.67 15.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.23 -37.5 53.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 83' ' ' LEU . 14.1 m -96.07 48.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.43 51.04 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.6 t -154.94 -56.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.06 177.25 6.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -96.65 123.52 40.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 78' ' ' VAL . 45.8 mt -83.79 159.76 21.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.525 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 39.0 t -122.41 125.73 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.44 HD22 ' N ' ' A' ' 87' ' ' THR . 0.0 OUTLIER -106.9 124.23 49.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.351 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' HD22 ' A' ' 85' ' ' LEU . 1.3 t70 -101.3 60.69 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.44 ' N ' HD22 ' A' ' 85' ' ' LEU . 68.7 p -41.62 155.88 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 171.1 18.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.426 1.75 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.47 3.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -99.16 88.68 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -173.17 166.61 4.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 81.11 -63.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.17 110.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.65 172.21 18.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.04 113.18 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -122.06 -175.28 3.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.44 165.15 26.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.5 p -39.88 118.66 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.979 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.85 160.53 43.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -66.4 113.31 5.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 175.75 10.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.0 t -97.3 -61.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.7 t 66.1 140.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.54 149.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 0.79 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -171.33 165.2 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.19 128.71 2.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.06 153.99 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 109.996 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -177.32 166.88 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.14 138.67 9.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.0 176.97 7.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 10' ' ' GLU . 34.6 mt-30 -90.78 37.86 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 9' ' ' GLN . 1.6 mt-10 87.06 -41.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t 67.31 -72.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 10' ' ' GLU . 72.9 mmt-85 -95.47 160.81 14.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.01 73.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -70.55 -75.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.31 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 177.89 160.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.55 128.48 37.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.501 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.4 pp -101.71 160.19 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 6.7 m -135.99 157.33 47.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.414 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.576 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 47.1 p90 -153.66 162.32 41.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 23.7 mt-30 -101.36 157.45 16.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.68 136.38 46.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.4 tt0 -94.09 130.57 40.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' GLY . 6.5 mt -102.97 70.68 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.0 t -47.64 97.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . 136.92 -53.44 0.74 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.79 -29.13 63.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 70.7 74.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.35 157.35 2.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.415 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 86.2 t -113.52 109.86 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -92.72 156.67 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.86 146.95 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.576 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 10.1 mt -132.82 134.17 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 p -120.42 135.99 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.86 163.79 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.22 150.04 43.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.97 -57.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' PRO . 31.1 p -37.46 -55.02 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.475 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -41.38 161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -85.04 -176.01 6.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.482 ' CD1' ' OD1' ' A' ' 73' ' ' ASN . 1.4 mt -84.28 -23.67 30.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -87.71 -36.98 17.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.249 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.5 mm-40 -74.29 -24.54 59.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.41 -25.47 25.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.08 -16.05 22.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -53.37 -49.88 85.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.03 -3.04 13.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.54 1.811 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 14.6 mm -100.59 -47.83 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 52' ' ' GLY . 18.8 mt -62.05 -43.58 98.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.45 -33.82 76.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.35 -5.38 59.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 48.3 m80 -121.55 7.83 10.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.558 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 61.52 13.71 38.99 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' LEU . 50.2 mt -91.19 -165.28 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.7 -173.5 4.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.056 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.421 HD23 ' CD1' ' A' ' 48' ' ' LEU . 10.7 mt -99.67 -23.14 15.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -101.89 28.2 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -128.37 -63.33 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.8 m -71.68 175.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 90.7 t -143.72 108.58 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 tp -88.13 131.18 34.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -169.46 122.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -45.55 156.45 0.42 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 91.11 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.73 50.83 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -122.2 -170.58 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -122.6 -43.7 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.67 161.5 39.43 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.427 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -74.98 133.9 17.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.543 1.812 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 64.3 mtp -58.03 174.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.444 ' C ' ' N ' ' A' ' 72' ' ' GLU . 8.6 m-20 -113.16 100.75 8.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 70' ' ' ASP . 3.0 mt -39.98 -30.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 70' ' ' ASP . 28.8 mt-10 -41.12 -30.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.482 ' OD1' ' CD1' ' A' ' 40' ' ' LEU . 8.9 p30 -73.27 146.8 87.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.13 39.25 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 15.6 m -62.11 -14.35 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -12.71 61.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.82 -4.65 36.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 5.4 m -127.97 23.47 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.436 ' HB3' ' CD1' ' A' ' 17' ' ' ILE . . . -101.72 74.61 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.08 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -94.18 174.6 7.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -94.87 143.58 26.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' GLU . 78.3 mt -103.33 164.45 11.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 48.8 t -126.68 134.59 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 tp -112.63 123.08 49.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -105.38 76.38 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 79.8 p -49.27 156.75 0.98 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.396 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 154.02 42.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 56.04 4.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 172.21 106.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -161.03 127.25 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -58.03 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.47 97.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.27 83.2 5.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -149.06 139.15 22.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.31 160.93 26.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.12 156.51 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.75 -59.75 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 57.0 p -90.5 128.83 36.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.22 85.54 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 161.27 38.96 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.0 p -103.87 165.15 11.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.41 138.05 31.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.035 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -171.95 152.53 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 p -170.48 169.11 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.78 -179.61 43.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.38 163.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -129.5 160.4 33.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.53 -157.62 27.87 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -74.79 86.83 2.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 0.739 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -126.92 166.29 17.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -133.5 152.06 51.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.6 m -58.15 166.28 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 54.31 102.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.61 -63.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 176.42 179.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.243 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 60.55 157.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.57 126.06 7.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.407 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.8 pp -106.88 152.35 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 m -132.18 155.79 47.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 49.7 p90 -153.83 163.17 40.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.419 ' NE2' HG13 ' A' ' 29' ' ' VAL . 9.6 mt-30 -101.32 157.49 16.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -131.42 136.98 48.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -97.2 108.65 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 mt -80.63 69.12 7.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.3 t -40.33 118.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.32 -48.56 0.92 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.454 ' CD1' ' HD3' ' A' ' 28' ' ' ARG . 0.6 OUTLIER -77.96 -7.8 57.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 26' ' ' LEU . 9.5 pt-20 42.88 57.94 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.454 ' HD3' ' CD1' ' A' ' 26' ' ' LEU . 6.3 ptm180 -153.65 131.46 11.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG13 ' NE2' ' A' ' 20' ' ' GLN . 79.4 t -91.8 125.17 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.9 160.17 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -117.2 146.08 43.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 7.5 mt -132.66 129.94 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.4 p -120.69 137.35 54.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.93 156.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -51.72 151.46 6.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -51.53 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.8 p -43.58 -54.41 4.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.481 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 3.5 mttt -42.32 162.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -87.07 -174.11 4.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.455 ' CD1' HG12 ' A' ' 78' ' ' VAL . 1.1 mt -83.2 -25.75 31.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 45' ' ' GLN . 8.4 pt20 -86.59 -39.1 16.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.481 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.1 mm-40 -70.02 -26.94 64.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.39 -24.79 25.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.17 -15.74 23.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.528 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.08 -50.33 84.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.097 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.4 Cg_endo -75.01 -3.21 13.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.435 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 18.1 mm -100.29 -43.18 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.449 ' CD1' HD22 ' A' ' 55' ' ' LEU . 10.1 mt -72.32 -39.04 68.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.9 65.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -93.39 -10.54 34.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 30.9 m80 -115.06 7.97 15.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.627 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.51 19.75 54.44 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.1 mt -94.07 -169.74 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.09 172.19 14.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.449 HD22 ' CD1' ' A' ' 48' ' ' LEU . 15.2 mt -88.05 -31.87 19.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.3 35.31 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -135.39 -45.27 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.7 m -94.86 147.71 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 90.9 t -111.27 123.07 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -108.38 140.23 41.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -174.96 116.85 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.595 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HB3' ' CD2' ' A' ' 83' ' ' LEU . 9.9 ptm180 -50.76 156.28 1.67 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 117.71 5.02 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.02 -40.23 1.67 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -66.65 -174.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.365 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.5 -76.92 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -64.07 163.82 21.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.472 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -74.95 133.34 16.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.47 1.773 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -71.26 165.73 23.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -96.98 162.26 13.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.0 mt -100.74 -19.86 15.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -54.28 -27.92 38.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.423 ' OD1' ' CD1' ' A' ' 40' ' ' LEU . 9.0 p30 -71.07 144.3 89.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 143.76 29.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 15.9 m -57.59 -17.93 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -19.12 61.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.03 -32.51 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.455 HG12 ' CD1' ' A' ' 40' ' ' LEU . 4.2 m -92.09 16.28 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.39 141.42 50.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 81' ' ' GLN . 0.4 OUTLIER 72.31 150.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 80' ' ' SER . 1.4 tt0 84.12 -179.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.5 m -118.24 133.33 55.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 25.5 mt -93.8 172.26 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 73.1 t -127.43 134.0 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -118.91 136.19 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -120.94 79.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 41.2 p -41.55 157.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.348 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.99 23.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 57.7 4.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.3 -56.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.96 116.48 3.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.91 -67.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.34 148.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.9 p -146.27 131.57 18.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.976 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -174.75 103.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.73 -62.16 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 42.35 88.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.235 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 p -51.45 112.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.69 114.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.04 117.89 7.12 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 168.41 24.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -129.91 106.51 8.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.5 t -83.67 -60.68 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.942 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.77 170.4 19.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.07 -59.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.44 178.35 41.29 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.08 161.05 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 0.791 . . . . 0.0 109.989 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 174.54 157.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.052 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.64 178.25 38.51 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -178.32 139.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.25 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -148.01 165.1 31.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -131.61 141.99 49.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.3 t -132.3 -70.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.75 142.84 57.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tp -158.52 147.4 18.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 59.94 77.1 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -172.22 117.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.9 126.74 16.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.432 ' CD1' ' C ' ' A' ' 17' ' ' ILE . 1.7 pp -101.62 151.58 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -129.37 152.55 48.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 49.0 p90 -151.47 162.99 40.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -101.07 157.52 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -127.36 145.09 50.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -102.72 98.1 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' LEU . 4.1 mt -71.29 70.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.525 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 75.7 t -40.17 -47.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.3 -42.65 98.88 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' LEU . 3.7 tp -116.22 98.39 6.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.33 95.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.455 ' HD2' ' CD2' ' A' ' 26' ' ' LEU . 11.5 ptm180 179.43 172.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.2 t -124.53 130.87 73.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -119.6 157.28 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.89 145.36 42.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.8 mt -129.85 137.45 56.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.1 p -125.03 130.93 53.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -172.13 152.0 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -47.46 151.34 1.41 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LYS . 18.4 Cg_endo -74.99 -60.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.8 p -40.33 -34.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 4.6 mttt -61.17 155.76 19.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -82.16 -176.62 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.55 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 1.2 mt -80.37 -20.26 44.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.425 ' HB3' ' CB ' ' A' ' 71' ' ' LEU . 19.0 pt20 -89.12 -41.17 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.474 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 27.6 mt-10 -67.92 -28.79 67.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.52 -28.09 26.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -91.61 -9.48 43.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.516 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -58.97 -50.86 85.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.0 -3.56 14.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.424 HG23 ' CE1' ' A' ' 51' ' ' HIS . 22.0 mm -100.79 -44.69 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' CD1' HD21 ' A' ' 55' ' ' LEU . 13.7 mt -73.05 -55.04 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.25 -38.46 26.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' N ' ' A' ' 52' ' ' GLY . 1.8 tttm -74.75 -74.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.424 ' CE1' HG23 ' A' ' 47' ' ' ILE . 69.7 m80 -41.39 -29.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.553 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 50' ' ' LYS . . . 99.79 28.54 7.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.433 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 83.0 mt -105.53 -171.92 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.4 m -139.24 171.77 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.447 HD21 ' CD1' ' A' ' 48' ' ' LEU . 16.8 mt -87.23 -19.72 27.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -109.32 30.83 6.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -130.25 -46.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 m -87.53 155.37 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 57.5 t -124.35 110.94 26.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.55 ' CD2' ' CD2' ' A' ' 40' ' ' LEU . 9.3 tp -97.47 136.27 38.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -177.49 134.25 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.626 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.446 ' CZ ' ' HG3' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -62.09 158.09 47.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 76.45 3.39 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 164.09 -44.06 0.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -43.31 166.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 0.741 . . . . 0.0 110.273 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.65 -74.22 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.71 159.96 54.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.464 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.0 Cg_endo -75.02 145.41 31.33 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.549 1.815 . . . . 0.0 110.991 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.3 mtt -51.36 172.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.448 ' C ' ' N ' ' A' ' 72' ' ' GLU . 7.2 m-20 -122.87 18.85 10.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.425 ' CB ' ' HB3' ' A' ' 41' ' ' GLN . 2.0 mt 40.01 30.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 70' ' ' ASP . 6.0 mt-10 -103.48 -20.9 13.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -86.86 152.35 53.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.3 Cg_endo -74.96 136.68 20.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.458 ' HA ' ' CG2' ' A' ' 78' ' ' VAL . 5.2 m -48.28 -24.25 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 74' ' ' PRO . 80.4 p -50.56 -31.24 15.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 109.992 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.58 -37.22 43.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 24.3 m -96.63 48.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.08 64.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.74 -49.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.446 ' HG3' ' CZ ' ' A' ' 62' ' ' ARG . 50.6 mm-40 -104.0 -178.32 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.347 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.4 m -100.57 123.68 45.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.451 ' CD1' ' HB ' ' A' ' 78' ' ' VAL . 85.1 mt -82.99 169.98 15.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.525 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 38.3 t -126.57 132.51 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.414 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 5.5 tp -110.76 126.5 54.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -111.75 76.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.3 p -51.09 157.34 1.5 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.64 34.83 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 57.64 4.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 169.38 127.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -173.31 150.38 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -79.47 156.34 27.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.13 170.26 16.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 t -137.52 -56.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -157.66 120.99 4.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -172.71 165.45 5.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.54 -67.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.8 t 68.22 108.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.5 150.75 21.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 133.49 97.35 0.62 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 164.09 33.99 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.3 169.28 17.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.4 m 63.08 145.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.944 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -123.01 94.29 4.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.777 . . . . 0.0 110.023 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 t -68.26 107.44 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.42 -132.68 11.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 m 64.43 95.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 110.05 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.52 161.18 42.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.04 171.38 0.05 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -170.73 129.69 0.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 0.772 . . . . 0.0 109.291 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 58.17 161.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -130.34 111.52 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.2 t -135.47 -58.54 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.6 mmm-85 -77.48 140.48 39.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.339 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.11 148.99 32.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.69 166.99 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -93.84 153.6 18.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.92 129.09 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pp -101.64 151.02 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 19.7 m -133.52 158.21 43.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 34.3 p90 -152.42 166.09 33.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.469 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 14.9 mt-30 -101.27 153.88 19.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.72 135.1 48.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -97.77 107.12 19.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.81 72.58 1.55 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.458 ' CG2' HG13 ' A' ' 84' ' ' VAL . 66.0 t -42.52 122.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.07 13.74 24.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.477 ' HB3' ' CD ' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -149.92 -169.52 3.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.0 109.358 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -133.18 77.68 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.239 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.477 ' CD ' ' HB3' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -166.92 177.09 6.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 93.7 t -144.65 91.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 m -71.18 150.35 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.469 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 13.4 tpp85 -114.07 150.33 34.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.579 ' HB ' ' CE2' ' A' ' 19' ' ' PHE . 10.5 mt -132.85 125.73 52.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.448 ' CA ' HG22 ' A' ' 18' ' ' THR . 0.2 OUTLIER -120.0 130.69 54.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.1 159.25 5.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -52.83 153.14 6.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.359 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.5 Cg_endo -74.92 -58.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.4 p -38.18 -56.68 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.1 mttt -40.17 157.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -82.77 -175.96 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 ' CD1' ' HE1' ' A' ' 69' ' ' MET . 1.0 OUTLIER -82.42 -27.55 31.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -82.84 -40.85 19.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 6.6 mm-40 -70.81 -25.31 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.445 ' CB ' HG11 ' A' ' 75' ' ' VAL . . . -86.72 -25.08 24.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.98 -12.9 24.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.54 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.79 -49.38 94.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.5 Cg_endo -74.99 -3.69 14.3 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.45 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 20.1 mm -101.04 -49.82 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.465 HD11 ' CD2' ' A' ' 55' ' ' LEU . 40.3 mt -66.32 -41.45 89.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.04 -31.11 72.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.87 -10.84 49.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 36.1 m80 -113.25 9.43 18.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.646 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.33 14.81 35.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' LEU . 68.0 mt -91.65 -174.96 4.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.401 ' HB2' ' CG ' ' A' ' 57' ' ' GLN . 1.2 m -143.59 151.94 40.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.931 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.465 ' CD2' HD11 ' A' ' 48' ' ' LEU . 2.3 mt -68.38 -24.94 64.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -103.31 20.57 17.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.401 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 41.6 mm-40 -116.33 -48.97 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.0 m -88.58 164.39 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 61' ' ' HIS . 23.8 t -129.91 116.31 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.417 ' CD2' HD23 ' A' ' 40' ' ' LEU . 4.8 tp -97.26 141.01 30.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.468 ' CD2' HG13 ' A' ' 59' ' ' VAL . 6.2 p80 178.55 118.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -41.9 161.46 0.15 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.405 ' N ' HG22 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 76.56 3.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.549 1.815 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.31 51.24 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -116.1 178.01 4.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -99.5 -68.58 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -105.76 160.87 24.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.402 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -74.95 153.24 41.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.472 ' HE1' ' CD1' ' A' ' 40' ' ' LEU . 2.2 mmm -70.59 142.79 51.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.441 ' C ' ' N ' ' A' ' 72' ' ' GLU . 87.3 m-20 -91.21 20.01 5.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt 40.19 29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.441 ' N ' ' C ' ' A' ' 70' ' ' ASP . 0.8 OUTLIER -96.36 -38.85 9.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -67.48 153.88 94.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.4 Cg_endo -74.96 140.57 25.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.46 1.769 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 4.3 m -46.72 -26.18 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' PRO . 91.9 p -54.83 -19.07 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.29 -33.05 29.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 19' ' ' PHE . 6.2 m -84.37 -5.92 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -52.05 122.13 7.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.3 OUTLIER 84.89 154.39 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 78.13 177.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.5 m -116.75 119.33 35.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 78' ' ' VAL . 16.3 mt -76.25 173.97 10.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.458 HG13 ' CG2' ' A' ' 24' ' ' VAL . 67.0 t -134.4 126.32 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -108.36 139.71 42.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.55 81.35 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.6 p -51.61 157.77 1.74 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.04 19.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -38.07 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.77 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -121.12 113.38 19.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.369 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -122.51 133.85 54.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.74 125.55 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.6 tpt -168.09 137.91 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.2 t -48.97 -55.97 10.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.959 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.61 63.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -85.73 165.45 16.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -163.25 100.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -178.7 150.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -59.03 136.06 57.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -153.57 97.56 0.17 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 160.45 40.02 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.508 1.794 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.8 p -132.17 124.84 29.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.0 t -178.81 -60.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 m 64.18 -77.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 1' ' ' GLY . 36.9 t -161.93 -59.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.89 89.11 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -170.79 115.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.018 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -176.28 168.2 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.58 179.73 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 170.37 -54.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.508 ' O ' ' CB ' ' A' ' 10' ' ' GLU . 19.3 pt20 179.38 -175.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER 160.57 -26.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.3 t 64.44 -80.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -118.12 144.23 45.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.96 156.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -100.35 151.74 21.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -56.08 -178.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.86 128.43 1.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pp -101.74 161.07 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 14.7 m -140.17 158.42 44.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.586 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 45.1 p90 -154.56 161.58 41.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.45 ' OE1' ' NE ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -100.64 156.81 17.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -134.12 141.59 47.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -99.27 109.49 22.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mt -79.14 72.14 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.463 HG21 ' CG1' ' A' ' 84' ' ' VAL . 96.4 t -44.44 132.04 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.3 -46.57 2.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.05 -29.86 58.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 65.13 74.88 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.409 ' HB2' ' NH1' ' A' ' 28' ' ' ARG . 0.9 OUTLIER -172.61 136.33 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.5 t -95.17 113.82 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.085 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' LEU . 2.0 m -101.19 160.17 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' NE ' ' OE1' ' A' ' 20' ' ' GLN . 15.5 tpp85 -122.31 142.57 50.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.586 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 11.2 mt -125.55 132.1 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.6 p -119.53 132.56 55.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.97 161.4 3.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.69 153.06 32.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.99 -58.35 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.783 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' PRO . 67.7 p -37.11 -53.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -43.91 165.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -90.07 -176.86 5.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' CD1' HG12 ' A' ' 78' ' ' VAL . 1.1 mt -82.61 -27.58 31.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -86.72 -33.98 19.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 14.2 mm-40 -73.54 -27.45 61.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.78 -22.52 25.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.58 -15.24 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.525 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.76 -50.51 86.7 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.4 Cg_endo -74.97 -2.93 13.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.493 HG21 ' CE1' ' A' ' 51' ' ' HIS . 17.6 mm -100.55 -49.78 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' CD1' HD21 ' A' ' 55' ' ' LEU . 24.0 mt -60.79 -56.85 16.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.47 -49.65 44.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -36.37 81.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.493 ' CE1' HG21 ' A' ' 47' ' ' ILE . 49.6 m80 -88.22 7.76 30.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 60.09 23.14 59.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.8 mt -98.91 -167.93 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.8 m -144.39 172.92 12.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.463 HD21 ' CD1' ' A' ' 48' ' ' LEU . 19.1 mt -86.06 -27.32 24.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -100.11 30.94 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -129.24 -48.64 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 m -90.9 140.52 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 57.3 t -112.83 116.89 53.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tt -91.08 138.13 31.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.415 ' NE2' ' HB2' ' A' ' 86' ' ' ASP . 23.7 p80 -174.92 114.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.483 ' CG ' ' HG2' ' A' ' 65' ' ' GLU . 0.3 OUTLIER -65.46 159.15 69.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.435 ' CD ' HG22 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.0 82.85 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.807 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.62 -25.6 0.33 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.483 ' HG2' ' CG ' ' A' ' 62' ' ' ARG . 11.3 mm-40 -89.6 -28.8 19.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 0.788 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt 68.14 -75.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.08 161.78 0.54 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 118.16 5.17 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.3 mmm -57.04 169.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.86 107.5 18.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.422 ' C ' ' N ' ' A' ' 73' ' ' ASN . 2.0 mt -56.11 -37.17 69.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.402 ' CD ' ' OD1' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -41.36 -28.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.422 ' N ' ' C ' ' A' ' 71' ' ' LEU . 7.6 m-20 -71.35 147.44 92.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 139.68 24.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.421 1.748 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 14.8 m -54.35 -24.17 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -51.8 -24.92 6.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.019 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.75 -25.92 26.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.036 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.45 HG12 ' CD1' ' A' ' 40' ' ' LEU . 3.6 m -108.33 45.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.22 44.91 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -174.81 161.8 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.962 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 60.93 170.01 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 54.5 m -102.29 126.32 49.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 62' ' ' ARG . 21.6 mt -85.13 176.14 8.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 24' ' ' VAL . 58.1 t -133.38 124.52 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.465 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 1.6 tm? -104.61 143.26 33.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.415 ' HB2' ' NE2' ' A' ' 61' ' ' HIS . 7.1 t0 -124.58 91.07 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.7 p -64.59 157.24 74.4 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 166.4 29.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 160.41 40.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.9 t0 53.87 90.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -161.24 93.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.72 -66.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.0 tmm? 41.04 83.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.9 p 47.62 80.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -179.85 172.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.239 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.13 149.27 30.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.63 141.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.5 p 178.0 88.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.56 104.82 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -176.9 154.7 16.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.35 41.98 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.54 148.92 18.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.2 167.79 10.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.027 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -176.81 167.73 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 110.019 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -179.9 167.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.939 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.87 -107.1 0.24 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.57 146.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.764 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -170.96 157.38 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.14 125.94 2.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -177.51 134.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -126.23 176.54 7.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.23 155.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.2 m -128.91 168.3 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.15 113.02 1.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.87 59.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -145.93 163.71 34.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -95.81 67.42 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.89 129.62 3.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 pp -105.89 154.33 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.6 m -128.1 152.59 47.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 48.8 p90 -151.33 161.88 41.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -101.2 157.78 16.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -132.52 142.26 49.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.1 tt0 -100.01 112.53 24.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -84.26 70.72 10.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.228 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.474 HG22 ' CG1' ' A' ' 84' ' ' VAL . 84.8 t -45.58 -59.44 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -37.54 -39.38 0.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.545 ' O ' ' CB ' ' A' ' 27' ' ' GLU . 1.2 tp -97.44 -96.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.545 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER 157.18 44.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -151.16 148.28 28.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.342 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.0 t -94.31 138.91 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -121.98 164.15 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -118.83 142.19 47.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 6.3 mt -129.08 136.61 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.7 p -123.51 134.76 53.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.74 160.43 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.503 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -55.36 151.52 19.19 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' THR . 18.3 Cg_endo -74.97 -57.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' PRO . 38.5 p -38.14 -52.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -43.17 164.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -89.4 -178.47 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.05 -24.45 32.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -87.12 -36.08 18.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -77.61 -24.86 49.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.42 ' CB ' HG13 ' A' ' 75' ' ' VAL . . . -85.03 -27.42 26.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.47 -15.86 25.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.544 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -52.08 -49.37 84.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.05 -3.28 13.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.487 HG22 ' CE1' ' A' ' 51' ' ' HIS . 15.0 mm -100.72 -46.54 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.441 ' CD1' HD23 ' A' ' 55' ' ' LEU . 7.9 mt -67.35 -34.64 77.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.53 -22.47 61.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.33 -8.48 32.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.487 ' CE1' HG22 ' A' ' 47' ' ' ILE . 47.4 m80 -116.95 9.45 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.613 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.54 18.35 51.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' LEU . 48.8 mt -95.2 -167.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.34 178.98 8.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.441 HD23 ' CD1' ' A' ' 48' ' ' LEU . 12.5 mt -91.69 -31.45 15.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.22 36.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -135.12 -48.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.53 167.45 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.1 t -131.7 116.83 32.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -92.69 138.65 31.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -173.49 142.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.078 . . . . 0.0 109.585 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -70.93 160.18 83.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.469 ' CA ' HG21 ' A' ' 84' ' ' VAL . 18.2 Cg_endo -75.02 95.54 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.552 1.817 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.69 54.51 0.47 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -117.32 178.43 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 110.299 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.08 -16.94 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -156.5 167.8 13.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.299 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 128.33 11.41 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 61.0 mtp -59.59 166.28 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -104.19 117.81 35.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.254 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.4 ' C ' ' N ' ' A' ' 73' ' ' ASN . 1.8 mt -55.63 -29.89 60.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -44.55 -26.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 71' ' ' LEU . 11.3 m-20 -74.9 148.39 84.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 144.84 30.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 35' ' ' LYS . 13.3 m -56.61 -21.79 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.32 -20.49 43.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.68 -9.67 53.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 3.6 m -127.42 46.06 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.7 133.95 36.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.66 -61.57 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -45.35 153.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.0 m -94.17 147.0 23.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' GLU . 16.6 mt -118.65 159.16 24.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.474 ' CG1' HG22 ' A' ' 24' ' ' VAL . 81.0 t -118.46 118.7 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.462 ' HB2' ' CD2' ' A' ' 21' ' ' LEU . 3.4 tm? -101.69 137.11 40.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.32 94.84 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 25.5 p -62.94 157.62 59.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.31 42.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 55.95 4.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.4 t0 175.93 -59.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 60.3 105.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt 67.16 132.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.8 ttt -73.94 118.29 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.54 159.84 3.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.12 81.13 3.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -142.07 171.91 13.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.5 103.14 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.17 144.03 40.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.09 -58.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.071 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.25 97.05 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 160.82 39.6 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.18 -58.15 1.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.66 169.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.983 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.7 pp -103.48 165.68 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 32' ' ' ILE . 24.6 m -142.28 161.22 38.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 41.9 p90 -156.75 164.25 38.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -101.26 159.96 14.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.671 HD11 HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -132.08 138.69 48.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.452 ' HB3' HG13 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -93.93 117.86 30.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.4 mt -88.99 68.98 8.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.501 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 89.8 t . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.4 m -104.91 160.01 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 32' ' ' ILE . 9.4 ttt180 -118.68 145.71 45.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.603 HD11 HD12 ' A' ' 21' ' ' LEU . 8.1 mt -131.53 125.04 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.414 ' CA ' HG23 ' A' ' 18' ' ' THR . 91.2 p -116.64 138.72 51.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.14 162.57 1.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.52 152.51 33.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.742 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -74.99 -55.36 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.771 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.4 p -38.13 -53.96 1.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.439 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER -44.53 166.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -93.2 -174.09 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.059 HD11 HG11 ' A' ' 78' ' ' VAL . 1.4 mt -85.14 -22.37 28.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.508 ' HB2' HD22 ' A' ' 55' ' ' LEU . 8.6 pt20 -88.63 -37.1 15.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.251 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 5.1 mm-40 -75.26 -27.5 59.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.03 -25.84 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -91.76 -14.42 29.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.517 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -52.33 -50.7 78.13 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.06 -3.15 13.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 47' ' ' ILE . 21.9 mm -99.97 -42.79 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 54' ' ' SER . 16.3 mt -71.91 -39.87 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.91 -15.44 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -102.57 -5.98 23.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -121.28 8.73 10.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.587 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.25 17.47 61.62 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.557 1.161 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' LEU . 14.0 mt -97.06 -164.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.64 ' C ' HD13 ' A' ' 48' ' ' LEU . 58.2 m -156.83 170.73 21.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.508 HD22 ' HB2' ' A' ' 41' ' ' GLN . 12.6 mt -81.24 -17.15 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -107.61 15.23 24.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -114.12 -47.7 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.9 m -93.59 168.11 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.5 t -140.79 126.63 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.668 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -97.93 139.76 33.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.668 ' N ' HD13 ' A' ' 60' ' ' LEU . 3.8 p80 -176.29 119.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.572 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.404 ' C ' ' N ' ' A' ' 73' ' ' ASN . 1.9 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -44.42 -26.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 71' ' ' LEU . 8.2 m-20 -70.94 148.44 94.55 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.92 27.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.742 HG23 ' HA ' ' A' ' 36' ' ' PRO . 8.1 m -57.36 -19.51 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -15.81 30.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -102.01 -5.53 24.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.059 HG11 HD11 ' A' ' 40' ' ' LEU . 2.1 m -121.19 29.86 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.983 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -116.3 70.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.07 -67.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.97 178.12 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.3 m -93.46 133.24 36.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.611 ' HB3' HD11 ' A' ' 60' ' ' LEU . 2.6 mt -93.89 174.68 7.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.501 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 53.2 t -127.23 141.6 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.671 HD13 HD11 ' A' ' 21' ' ' LEU . 4.5 tp -112.65 127.54 56.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -110.95 81.55 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.7 p -58.56 158.77 14.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.117 0 O-C-N 124.531 1.806 . . . . 0.0 111.009 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.758 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.6 pp -101.91 151.27 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 32' ' ' ILE . 8.9 m -129.43 157.98 40.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 43.8 p90 -154.71 163.29 40.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.459 ' CG ' ' HD3' ' A' ' 31' ' ' ARG . 6.3 mt-30 -102.32 156.16 17.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.467 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -128.9 152.06 48.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -112.27 95.17 5.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.7 73.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.511 HG23 HG13 ' A' ' 84' ' ' VAL . 41.8 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -144.44 163.35 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HD3' ' CG ' ' A' ' 20' ' ' GLN . 4.8 tpp180 -122.45 145.41 48.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.579 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.8 mt -130.43 134.23 62.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.457 ' CA ' HG23 ' A' ' 18' ' ' THR . 0.7 OUTLIER -123.14 129.8 51.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.973 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.3 156.74 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.91 151.08 3.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.729 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.94 -58.23 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.528 1.804 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' PRO . 75.5 p -38.28 -50.97 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.425 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.2 mttm -44.17 166.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 74' ' ' PRO . 9.4 mtm180 -94.03 -179.1 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.819 HD13 HD21 ' A' ' 60' ' ' LEU . 3.0 mt -79.92 -24.47 41.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.412 ' N ' ' HB3' ' A' ' 71' ' ' LEU . 6.3 pt20 -85.8 -38.76 17.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.254 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 1.9 mm-40 -75.12 -24.7 58.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.24 -24.57 25.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.41 -12.5 24.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.525 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.98 -50.43 88.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.0 Cg_endo -75.07 -3.05 13.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.452 1.764 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.45 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 17.0 mm -100.58 -48.79 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.771 ' CD1' HD23 ' A' ' 55' ' ' LEU . 35.5 mt -65.47 -44.81 86.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.04 -36.97 80.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -81.32 -11.65 59.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 31.3 m80 -112.46 7.76 19.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.562 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 59.71 20.53 52.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.541 1.151 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' LEU . 32.4 mt -94.61 -170.94 2.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.3 m -145.67 162.15 38.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.771 HD23 ' CD1' ' A' ' 48' ' ' LEU . 25.7 mt -78.16 -32.21 50.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -96.16 37.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -137.28 -54.69 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.661 ' HB ' HD11 ' A' ' 85' ' ' LEU . 27.0 m -83.94 140.48 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.0 t -107.46 109.23 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.958 HD11 HD13 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -92.14 133.41 35.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -176.03 139.9 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.644 ' HG3' HD23 ' A' ' 83' ' ' LEU . 11.9 mtt180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.55 HD23 HD22 ' A' ' 60' ' ' LEU . 2.7 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.58 -30.69 13.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -68.36 147.16 98.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 18.3 Cg_endo -74.99 146.6 32.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.812 ' HA ' HG22 ' A' ' 78' ' ' VAL . 17.1 m -62.78 -16.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.0 p -62.42 -13.88 34.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.93 -33.09 12.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.812 HG22 ' HA ' ' A' ' 75' ' ' VAL . 27.3 m -94.98 39.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.469 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -119.58 71.27 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.02 -66.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -89.2 171.25 9.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.4 m -93.04 130.79 38.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.397 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.958 HD13 HD11 ' A' ' 60' ' ' LEU . 69.8 mt -84.95 174.19 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.511 HG13 HG23 ' A' ' 24' ' ' VAL . 70.0 t -135.85 117.78 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.712 HD13 ' N ' ' A' ' 86' ' ' ASP . 1.5 tm? -99.68 140.5 33.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.712 ' N ' HD13 ' A' ' 85' ' ' LEU . 3.9 t0 -125.13 80.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.0 p -48.5 157.11 0.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.519 1.799 . . . . 0.0 110.972 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.695 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.7 pp -103.98 155.37 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 33' ' ' SER . 2.6 m -134.8 152.93 52.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 45.5 p90 -153.89 163.99 39.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -101.09 160.86 14.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.571 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -131.0 140.48 50.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.532 ' HB3' HG13 ' A' ' 84' ' ' VAL . 1.4 tt0 -95.3 112.63 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 24' ' ' VAL . 5.2 mt -84.46 69.49 10.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.454 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 84.5 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.14 157.05 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.415 ' HD3' HG21 ' A' ' 18' ' ' THR . 32.9 ttm180 -116.53 146.1 42.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 7.9 mt -131.01 129.34 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.556 ' HB3' HG23 ' A' ' 18' ' ' THR . 78.5 p -121.21 135.85 55.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.44 160.42 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.488 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -51.87 150.39 7.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.715 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.97 -59.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.2 p -37.98 -48.97 1.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.2 mttm -45.27 168.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -94.0 -176.46 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.746 HD11 HG11 ' A' ' 78' ' ' VAL . 1.7 mt -82.85 -26.85 31.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.456 ' HB2' HD22 ' A' ' 55' ' ' LEU . 11.6 pt20 -85.71 -37.69 19.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.0 mm-40 -72.95 -24.72 60.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.93 -23.24 25.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -94.82 -18.82 20.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.535 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -52.05 -49.83 82.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.0 -2.93 13.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.483 HG23 ' CE1' ' A' ' 51' ' ' HIS . 21.6 mm -100.7 -49.73 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.613 HD13 ' C ' ' A' ' 54' ' ' SER . 18.2 mt -61.02 -47.61 85.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.38 73.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.21 -3.1 58.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.483 ' CE1' HG23 ' A' ' 47' ' ' ILE . 41.4 m80 -123.63 7.39 8.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 62.01 23.8 64.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.69 -163.83 1.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 0.752 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.613 ' C ' HD13 ' A' ' 48' ' ' LEU . 5.0 m -155.57 173.84 16.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.033 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 41' ' ' GLN . 14.8 mt -85.02 -26.53 26.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -98.57 37.91 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -139.54 -55.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.909 ' HB ' HD11 ' A' ' 85' ' ' LEU . 10.8 m -83.75 138.22 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.1 t -111.97 109.07 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.682 HD11 HD13 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -91.5 137.3 32.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -169.17 115.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.622 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.413 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.1 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -49.42 -23.87 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -74.65 147.67 84.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.33 25.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.837 ' HA ' HG22 ' A' ' 78' ' ' VAL . 12.4 m -55.34 -19.61 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.2 p -55.69 -33.85 64.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.54 -38.98 54.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.837 HG22 ' HA ' ' A' ' 75' ' ' VAL . 17.7 m -92.51 46.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.609 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -125.99 78.14 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.54 -59.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.987 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -96.53 168.79 10.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.6 m -88.7 129.71 35.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.682 HD13 HD11 ' A' ' 60' ' ' LEU . 23.4 mt -86.41 171.8 10.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.532 HG13 ' HB3' ' A' ' 22' ' ' GLU . 46.4 t -126.79 139.94 50.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.909 HD11 ' HB ' ' A' ' 58' ' ' VAL . 0.6 OUTLIER -122.18 139.59 53.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.784 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -125.38 83.46 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.4 p -55.29 156.85 7.26 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 1.04 HD13 ' HB2' ' A' ' 79' ' ' ALA . 2.0 pp -103.03 160.2 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.441 HG23 ' HB3' ' A' ' 33' ' ' SER . 3.1 m -135.93 154.14 51.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 51.2 p90 -153.89 163.64 39.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -101.18 162.87 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.552 HD12 HD11 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -134.7 146.01 49.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.9 tt0 -103.29 111.92 24.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mt -84.14 73.39 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.446 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 91.4 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.4 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.1 m -108.88 160.18 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HD3' HG21 ' A' ' 18' ' ' THR . 0.3 OUTLIER -117.19 142.76 46.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.584 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 9.5 mt -128.45 133.41 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.441 ' HB3' HG23 ' A' ' 18' ' ' THR . 77.9 p -122.31 135.86 54.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.4 161.66 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -54.61 152.01 13.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.698 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -75.01 -56.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' PRO . 21.2 p -38.54 -57.15 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.469 ' CE ' ' HE3' ' A' ' 35' ' ' LYS . 1.2 tttm -41.12 160.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 74' ' ' PRO . 37.8 mtt180 -90.55 -175.85 4.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.947 HD11 HG11 ' A' ' 78' ' ' VAL . 3.7 mt -78.04 -21.15 51.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -87.5 -40.38 14.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 30.9 mt-10 -73.48 -24.47 60.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.35 -28.26 21.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.97 -8.73 39.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.667 ' HG2' HD11 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -62.31 -49.52 83.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.08 -4.53 15.52 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.463 HG23 ' CE1' ' A' ' 51' ' ' HIS . 19.9 mm -101.46 -56.24 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.612 ' CD1' HD23 ' A' ' 55' ' ' LEU . 64.6 mt -58.83 -43.31 90.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.26 96.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -79.52 -4.13 49.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.463 ' CE1' HG23 ' A' ' 47' ' ' ILE . 26.4 m80 -115.93 10.38 15.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.618 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.63 12.92 36.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' LEU . 44.7 mt -90.29 -163.52 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 0.725 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -158.07 161.29 38.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.667 HD11 ' HG2' ' A' ' 45' ' ' GLN . 15.6 mt -76.69 -33.32 58.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.27 36.16 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 57' ' ' GLN . 11.1 mm-40 -135.52 -54.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.698 ' HB ' HD11 ' A' ' 85' ' ' LEU . 9.5 m -82.37 173.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.2 t -136.7 133.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -111.45 140.81 45.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.703 ' N ' HD13 ' A' ' 60' ' ' LEU . 15.2 p80 -175.45 114.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.597 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.63 ' HG2' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -94.55 -31.15 14.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -73.93 149.24 87.58 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 18.3 Cg_endo -75.02 141.83 27.05 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.881 ' HA ' HG22 ' A' ' 78' ' ' VAL . 9.1 m -51.45 -22.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.8 p -52.81 -32.55 44.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -79.46 -39.45 32.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.947 HG11 HD11 ' A' ' 40' ' ' LEU . 5.2 m -89.63 43.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 1.04 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -127.58 56.29 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 t -150.47 -57.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.045 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.31 -173.83 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.7 m -96.15 139.82 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.829 HD11 ' HB ' ' A' ' 78' ' ' VAL . 97.7 mt -97.76 168.74 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.446 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 58.2 t -126.22 135.39 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.867 HD13 ' N ' ' A' ' 86' ' ' ASP . 1.0 OUTLIER -114.9 137.8 51.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.867 ' N ' HD13 ' A' ' 85' ' ' LEU . 5.9 t70 -122.9 90.81 3.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.5 p -57.43 157.02 14.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.691 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.7 pp -98.57 155.16 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 4.3 m -129.87 155.12 46.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 46.8 p90 -152.9 161.02 43.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 1.6 mt-30 -101.28 158.53 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.2 147.46 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.61 ' HB3' HG13 ' A' ' 84' ' ' VAL . 1.4 tt0 -105.2 97.6 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.422 HD23 HD12 ' A' ' 85' ' ' LEU . 17.9 mt -70.75 69.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.623 HG23 HG13 ' A' ' 84' ' ' VAL . 25.4 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.6 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -111.25 164.92 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.421 ' HD2' HG22 ' A' ' 18' ' ' THR . 12.6 tpp85 -127.88 139.47 52.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 11.1 mt -124.39 137.91 55.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.48 ' CA ' HG23 ' A' ' 18' ' ' THR . 0.8 OUTLIER -125.54 124.45 41.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.46 162.41 24.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -55.88 150.07 30.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.742 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.97 -56.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.523 1.801 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' PRO . 7.7 p -38.05 -51.23 1.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -45.83 169.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -94.64 -177.43 4.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.575 HD11 HG11 ' A' ' 78' ' ' VAL . 1.2 mt -81.61 -28.12 33.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -83.54 -37.69 22.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.485 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -73.78 -24.89 59.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.48 -24.04 25.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.02 -14.67 24.12 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.523 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.71 -50.65 85.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.5 Cg_endo -74.99 -3.22 13.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 18.3 mm -100.27 -46.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' LEU . 7.9 mt -65.81 -47.03 76.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.45 76.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.71 -16.32 54.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 35.9 m80 -108.73 7.9 26.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 63.1 11.47 38.87 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' LEU . 16.2 mt -87.6 -168.86 2.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.456 ' HB2' ' CG ' ' A' ' 57' ' ' GLN . 67.9 m -153.03 166.52 32.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.1 mt -79.92 -28.76 39.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -100.62 30.56 3.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 69.1 mm-40 -131.76 -47.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.855 ' HB ' HD21 ' A' ' 85' ' ' LEU . 3.2 m -94.84 148.62 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.2 t -117.54 130.79 71.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.526 HD13 ' H ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -106.4 146.75 30.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.526 ' H ' HD13 ' A' ' 60' ' ' LEU . 26.1 p80 -175.27 116.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.347 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.468 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.4 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -52.12 -20.86 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -75.89 149.52 82.98 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.06 22.54 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.772 ' HA ' HG22 ' A' ' 78' ' ' VAL . 15.6 m -55.91 -20.23 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.0 t -54.51 -26.94 34.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.964 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -39.34 23.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.772 HG22 ' HA ' ' A' ' 75' ' ' VAL . 34.3 m -92.53 45.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.66 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -122.33 72.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.95 -60.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.99 165.43 15.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.3 m -93.59 135.07 35.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.501 HD11 ' HB ' ' A' ' 78' ' ' VAL . 4.8 mt -96.78 165.48 12.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.623 HG13 HG23 ' A' ' 24' ' ' VAL . 47.2 t -124.77 123.25 65.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.855 HD21 ' HB ' ' A' ' 58' ' ' VAL . 1.0 OUTLIER -103.81 137.28 42.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.581 ' H ' HD22 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -121.41 95.43 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.555 ' CG2' HD11 ' A' ' 85' ' ' LEU . 39.9 p -58.64 158.84 14.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.3 mtm-85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.782 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.6 pp -101.67 152.17 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 33' ' ' SER . 3.2 m -128.78 153.59 47.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 47.3 p90 -153.72 163.81 39.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -101.42 164.17 11.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.592 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -140.25 136.07 32.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.9 tt0 -92.07 116.19 28.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.65 74.11 8.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.435 ' CG2' HG13 ' A' ' 84' ' ' VAL . 48.0 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.245 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -116.24 166.36 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -125.23 140.95 52.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.585 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.5 mt -127.4 132.82 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.499 ' HB3' HG23 ' A' ' 18' ' ' THR . 39.7 p -121.39 132.4 54.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.033 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -174.61 151.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.515 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.58 152.34 0.7 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.687 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -75.03 -58.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 36' ' ' PRO . 67.9 p -38.5 -51.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.4 mttm -43.62 164.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.9 mtm-85 -91.79 -177.34 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.848 HD21 HG21 ' A' ' 78' ' ' VAL . 1.2 mt -81.33 -23.98 37.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 8.1 pt20 -84.89 -42.71 14.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.9 mm-40 -71.96 -24.41 61.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.255 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.72 -25.28 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.83 -9.78 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.556 ' HG2' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -58.32 -49.04 95.77 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.339 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.96 -4.22 15.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.447 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 20.9 mm -100.99 -49.54 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.812 ' CD1' HD23 ' A' ' 55' ' ' LEU . 41.0 mt -68.69 -25.52 64.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.14 -36.14 40.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.66 1.08 53.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 28.7 m80 -120.72 5.61 10.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.64 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.53 15.32 46.13 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' LEU . 14.4 mt -89.35 -165.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.1 m -151.71 156.13 39.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.812 HD23 ' CD1' ' A' ' 48' ' ' LEU . 22.1 mt -71.15 -23.38 62.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -103.9 36.09 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -134.69 -46.97 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.54 ' HB ' HD11 ' A' ' 85' ' ' LEU . 10.1 m -89.03 145.12 7.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.523 ' O ' HD22 ' A' ' 85' ' ' LEU . 47.1 t -117.51 114.56 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.518 ' HG ' HD23 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -93.38 140.72 29.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -177.7 117.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.48 ' HG3' HD23 ' A' ' 83' ' ' LEU . 2.7 mtp180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.433 ' CB ' ' HB3' ' A' ' 41' ' ' GLN . 7.2 mt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -102.2 -22.99 14.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -83.55 151.54 62.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.3 Cg_endo -74.99 135.58 19.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.839 ' HA ' HG22 ' A' ' 78' ' ' VAL . 11.7 m -46.51 -25.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 74' ' ' PRO . 54.8 p -51.52 -28.76 14.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.85 -29.38 32.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.955 ' HB ' HD11 ' A' ' 83' ' ' LEU . 19.6 m -106.33 51.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.782 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -134.08 70.7 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 t -176.2 -68.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -82.61 170.08 15.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -86.27 131.53 34.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.955 HD11 ' HB ' ' A' ' 78' ' ' VAL . 73.8 mt -94.1 159.04 15.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.435 HG13 ' CG2' ' A' ' 24' ' ' VAL . 69.5 t -122.43 129.78 75.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.781 HD13 ' N ' ' A' ' 86' ' ' ASP . 1.7 tm? -115.27 144.5 43.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.781 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -129.82 86.96 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.348 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.8 p -56.66 157.64 9.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 110.408 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.496 1.788 . . . . 0.0 110.981 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.677 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.8 pp -101.15 148.91 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 32' ' ' ILE . 6.9 m -127.43 157.67 39.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 47.7 p90 -154.84 163.27 40.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -101.3 154.13 19.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -127.59 146.89 50.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -105.02 111.27 23.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 mt -80.57 76.76 7.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.506 ' CG2' HG13 ' A' ' 84' ' ' VAL . 80.5 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.9 OUTLIER -109.94 163.3 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -118.96 147.4 44.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.593 ' O ' HG23 ' A' ' 18' ' ' THR . 10.1 mt -132.53 136.1 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -122.31 133.77 54.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.038 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -175.88 156.3 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -52.19 151.73 6.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.711 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -75.05 -58.75 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' PRO . 8.3 p -38.45 -49.69 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.391 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.468 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.4 mttm -44.56 164.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.3 mtm180 -91.86 179.31 5.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.887 HD11 HG11 ' A' ' 78' ' ' VAL . 1.2 mt -77.31 -25.85 51.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.48 ' HB2' HD22 ' A' ' 55' ' ' LEU . 12.2 pt20 -85.61 -41.03 15.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.6 mm-40 -71.88 -25.41 61.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.63 -25.68 24.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.99 -15.32 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.536 ' HG2' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -54.0 -49.88 87.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -74.98 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 47' ' ' ILE . 14.9 mm -100.53 -46.28 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 53' ' ' LEU . 15.7 mt -67.82 -37.66 82.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.16 -33.56 74.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 1.06 55.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 29.0 m80 -125.45 8.13 7.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.592 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.52 19.73 42.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' LEU . 66.5 mt -93.59 -168.95 2.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.37 163.71 38.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.536 HD11 ' HG2' ' A' ' 45' ' ' GLN . 5.7 mt -82.01 -21.48 37.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -101.55 16.74 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -118.18 -57.87 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.651 ' HB ' HD11 ' A' ' 85' ' ' LEU . 6.1 m -82.4 151.4 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.9 t -122.68 114.29 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.745 HD13 ' C ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -95.24 137.29 34.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.511 ' H ' HD22 ' A' ' 60' ' ' LEU . 5.9 p80 -176.01 123.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.4 mtt-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -85.77 -19.9 30.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -83.76 152.06 62.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 18.4 Cg_endo -74.99 137.97 22.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.711 HG23 ' HA ' ' A' ' 36' ' ' PRO . 9.6 m -47.36 -26.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.5 p -46.18 -33.09 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -40.59 60.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.887 HG11 HD11 ' A' ' 40' ' ' LEU . 3.4 m -89.01 44.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.677 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -127.69 77.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.0 t -178.53 -55.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -106.43 176.44 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.3 m -91.29 137.75 32.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.817 HD11 ' HB ' ' A' ' 78' ' ' VAL . 83.1 mt -94.11 175.16 6.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.506 HG13 ' CG2' ' A' ' 24' ' ' VAL . 93.4 t -132.5 130.4 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.839 HD13 ' N ' ' A' ' 86' ' ' ASP . 1.4 tm? -110.74 141.8 43.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.839 ' N ' HD13 ' A' ' 85' ' ' LEU . 10.8 t0 -129.17 89.27 2.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.4 p -61.2 157.4 43.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.388 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.633 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.9 pp -105.78 158.95 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 32' ' ' ILE . 16.0 m -134.28 159.63 40.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 51.1 p90 -154.7 163.19 40.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -102.27 160.02 14.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -137.33 150.77 47.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -107.84 120.94 43.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -91.45 74.07 6.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.518 ' CG2' HG13 ' A' ' 84' ' ' VAL . 14.7 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -124.6 167.95 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -126.9 141.75 51.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.574 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 6.7 mt -128.58 131.47 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.9 p -119.32 137.03 53.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.031 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.73 158.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -54.26 152.24 11.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.725 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.97 -58.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.517 1.799 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 36' ' ' PRO . 17.1 p -37.79 -53.77 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 2.0 mttt -42.83 163.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -89.04 -176.1 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.574 HD11 HG11 ' A' ' 78' ' ' VAL . 1.1 mt -83.45 -27.06 29.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.508 ' HB2' HD22 ' A' ' 55' ' ' LEU . 8.4 pt20 -84.51 -36.35 22.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.9 mm-40 -74.83 -27.1 60.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.05 -24.66 28.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -92.97 -12.95 29.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.526 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.54 -50.38 88.11 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.98 -3.25 13.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 17.8 mm -100.71 -45.23 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 53' ' ' LEU . 6.0 mt -69.8 -34.52 73.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.31 -36.84 79.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.79 -1.01 57.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 24.0 m80 -120.8 5.47 10.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.591 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.46 19.18 46.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.445 1.09 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' LEU . 30.0 mt -91.73 -165.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.3 m -156.68 163.22 39.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.508 HD22 ' HB2' ' A' ' 41' ' ' GLN . 12.0 mt -80.58 -21.03 42.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.61 32.29 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -134.44 -46.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 m -92.53 161.34 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.7 t -132.01 113.48 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 61' ' ' HIS . 1.3 tm? -88.7 139.01 30.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.833 ' N ' HD13 ' A' ' 60' ' ' LEU . 17.3 p80 -172.91 128.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.56 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.535 ' HG3' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -50.72 -28.13 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -71.46 148.05 93.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 140.31 25.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.889 ' HA ' HG22 ' A' ' 78' ' ' VAL . 16.8 m -55.35 -19.77 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -58.92 -18.73 36.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.951 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.2 -13.59 24.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.889 HG22 ' HA ' ' A' ' 75' ' ' VAL . 13.4 m -120.95 46.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -107.2 33.52 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -155.26 -176.45 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.028 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' SER . 45.4 mt-30 41.65 -163.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.2 m -129.05 126.83 40.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.447 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.535 HD23 ' HG3' ' A' ' 62' ' ' ARG . 4.9 mt -84.19 164.46 19.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.518 HG13 ' CG2' ' A' ' 24' ' ' VAL . 58.7 t -125.06 113.22 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.649 HD13 ' N ' ' A' ' 86' ' ' ASP . 3.4 tm? -97.24 137.49 36.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.649 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -121.5 90.36 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 37.9 p -57.68 158.35 12.08 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.386 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 1.019 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.7 pp -101.92 153.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 32' ' ' ILE . 6.1 m -128.46 156.65 42.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.379 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 48.7 p90 -154.19 162.05 41.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.418 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -101.11 163.95 12.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -139.27 143.87 38.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' OE1' HG22 ' A' ' 84' ' ' VAL . 1.2 tt0 -101.23 114.01 27.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mt -85.45 69.67 10.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.518 HG23 HG13 ' A' ' 84' ' ' VAL . 93.2 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.9 OUTLIER -117.38 162.08 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.418 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -120.89 140.3 52.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.578 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 10.1 mt -126.23 137.44 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.2 p -121.92 136.28 54.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.54 164.09 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -61.96 152.91 75.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.725 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.99 -55.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.427 1.751 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' PRO . 27.8 p -38.32 -54.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.484 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -45.03 166.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -92.32 -175.42 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.692 HD11 HG11 ' A' ' 78' ' ' VAL . 1.3 mt -83.0 -26.65 31.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.514 ' HB2' HD22 ' A' ' 55' ' ' LEU . 7.5 pt20 -83.78 -39.16 20.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.484 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.4 mm-40 -73.42 -25.85 60.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.34 -25.04 29.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -92.86 -15.76 26.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.529 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -52.96 -50.16 83.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.03 -3.08 13.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.777 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 47' ' ' ILE . 15.1 mm -100.08 -47.92 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 54' ' ' SER . 14.9 mt -62.58 -49.61 74.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.88 75.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -11.7 59.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 44.2 m80 -115.66 7.09 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.594 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 64.24 14.04 55.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' LEU . 14.1 mt -91.89 -163.91 1.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.76 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.596 ' C ' HD13 ' A' ' 48' ' ' LEU . 69.4 m -154.48 175.33 13.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.941 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 41' ' ' GLN . 23.4 mt -86.55 -23.75 25.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -102.1 30.25 4.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -131.42 -53.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.839 ' HB ' HD21 ' A' ' 85' ' ' LEU . 11.1 m -87.34 137.25 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.4 ' O ' HD22 ' A' ' 85' ' ' LEU . 89.8 t -109.45 121.89 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.578 HD13 ' N ' ' A' ' 61' ' ' HIS . 2.1 tm? -98.15 139.6 33.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.578 ' N ' HD13 ' A' ' 60' ' ' LEU . 1.1 p80 -177.6 121.79 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 109.637 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.34 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.454 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 2.9 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -41.29 -28.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 71' ' ' LEU . 67.3 m-20 -67.12 152.24 96.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 139.58 24.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.816 ' HA ' HG22 ' A' ' 78' ' ' VAL . 10.9 m -58.73 -23.05 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.59 -25.47 17.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.5 -33.08 23.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.958 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.816 HG22 ' HA ' ' A' ' 75' ' ' VAL . 29.7 m -100.54 42.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 1.019 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -126.65 66.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.92 -52.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -101.83 177.72 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -94.23 142.3 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.531 HD11 ' HB ' ' A' ' 78' ' ' VAL . 9.2 mt -105.74 168.99 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.518 HG13 HG23 ' A' ' 24' ' ' VAL . 89.3 t -127.56 129.18 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.839 HD21 ' HB ' ' A' ' 58' ' ' VAL . 3.4 tm? -108.68 139.78 43.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.656 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -124.1 95.49 4.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.6 p -64.64 157.66 72.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.373 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.733 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.5 pp -102.37 158.15 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 32' ' ' ILE . 10.2 m -137.91 158.36 44.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 46.2 p90 -154.49 165.69 35.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.465 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 26.2 mt-30 -101.18 152.67 20.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.641 HD12 HD11 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -126.51 141.08 52.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -98.13 110.85 23.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.409 HD12 HG13 ' A' ' 30' ' ' VAL . 4.9 mt -81.9 70.26 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.546 ' CG2' HG13 ' A' ' 84' ' ' VAL . 40.2 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.9 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.409 HG13 HD12 ' A' ' 23' ' ' LEU . 3.6 m -101.33 155.63 4.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.465 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 15.3 tpp85 -113.88 150.1 34.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 18' ' ' THR . 8.4 mt -132.75 132.1 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.7 p -120.9 131.04 54.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.46 153.65 2.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.11 151.75 2.25 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.732 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -75.03 -59.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' PRO . 6.6 p -37.7 -50.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -44.97 161.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -87.15 179.43 6.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.909 HD11 HG11 ' A' ' 78' ' ' VAL . 1.2 mt -78.99 -29.05 43.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.457 ' HB2' HD22 ' A' ' 55' ' ' LEU . 13.0 pt20 -83.63 -34.04 25.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 42.1 mm-40 -76.59 -25.25 53.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.93 -23.78 25.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -94.62 -17.82 21.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.529 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -52.19 -50.16 80.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.01 -3.19 13.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 20.8 mm -100.24 -43.38 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 53' ' ' LEU . 11.8 mt -71.09 -35.74 71.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.84 -24.6 63.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -16.07 22.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 51.1 m80 -109.32 7.14 25.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.629 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.66 28.28 59.82 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.454 HD13 HG11 ' A' ' 58' ' ' VAL . 42.6 mt -101.1 -170.42 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.04 156.21 41.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.457 HD22 ' HB2' ' A' ' 41' ' ' GLN . 11.5 mt -71.46 -29.53 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.27 7.67 44.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -106.13 -60.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.591 ' HB ' HD11 ' A' ' 85' ' ' LEU . 5.6 m -83.9 141.85 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.4 t -108.98 119.73 59.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.652 HD13 ' H ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -89.97 138.01 31.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.652 ' H ' HD13 ' A' ' 60' ' ' LEU . 3.7 p80 -176.19 137.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.56 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.456 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.3 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -52.87 -21.06 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -75.67 151.81 84.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 142.94 28.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.862 ' HA ' HG22 ' A' ' 78' ' ' VAL . 13.0 m -62.09 -15.23 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 t -58.97 -29.94 67.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.93 -31.18 27.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.909 HG11 HD11 ' A' ' 40' ' ' LEU . 3.5 m -97.24 40.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.689 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -125.84 59.99 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.71 -59.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -98.35 173.78 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -89.92 139.55 30.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -100.37 168.89 9.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.546 HG13 ' CG2' ' A' ' 24' ' ' VAL . 92.9 t -128.31 123.38 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.719 HD13 ' N ' ' A' ' 86' ' ' ASP . 2.1 tm? -94.92 139.74 30.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.719 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -125.93 94.31 4.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.268 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.9 p -66.92 157.42 84.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.374 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.746 HD11 ' HB ' ' A' ' 75' ' ' VAL . 1.7 pp -102.14 157.87 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 32' ' ' ILE . 7.5 m -137.16 158.27 44.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 41.2 p90 -155.24 166.45 33.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 16.9 mt-30 -101.21 157.32 16.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.809 HD12 HD11 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -130.89 137.36 49.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -96.64 115.03 26.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' VAL . 5.8 mt -83.3 70.12 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.542 ' CG2' HG13 ' A' ' 84' ' ' VAL . 94.8 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 74.8 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 m -80.32 151.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.481 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 3.0 tpp85 -114.41 151.05 33.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.246 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.809 HD11 HD12 ' A' ' 21' ' ' LEU . 10.8 mt -132.31 133.16 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.7 p -122.81 135.04 54.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.68 161.46 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.26 153.86 24.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.737 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.95 -54.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.1 p -38.63 -56.05 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.2 mttm -43.34 164.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 74' ' ' PRO . 9.9 mtt-85 -92.44 -174.82 3.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.723 HD11 HG11 ' A' ' 78' ' ' VAL . 1.8 mt -82.97 -22.42 33.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.505 ' HB2' HD22 ' A' ' 55' ' ' LEU . 17.9 pt20 -88.99 -35.72 16.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.431 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 14.7 mm-40 -77.92 -26.85 49.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.94 -25.14 32.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -92.15 -15.44 27.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.528 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.92 -50.09 80.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.5 Cg_endo -74.98 -3.06 13.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 47' ' ' ILE . 13.6 mm -100.42 -48.0 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.369 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 54' ' ' SER . 11.4 mt -63.03 -45.01 94.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.53 -30.75 71.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -87.5 -0.58 57.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 46.0 m80 -127.11 5.52 6.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.582 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 64.54 16.3 60.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.572 1.17 . . . . 0.0 110.976 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.4 mt -94.79 -167.76 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 0.794 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.572 ' C ' HD13 ' A' ' 48' ' ' LEU . 74.5 m -152.21 179.05 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 41' ' ' GLN . 13.3 mt -89.86 -16.32 30.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.48 15.26 25.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -117.7 -43.97 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.611 ' HB ' HD21 ' A' ' 85' ' ' LEU . 3.0 m -102.54 150.47 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.5 t -121.43 124.94 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.772 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.9 OUTLIER -94.45 139.13 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.283 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.772 ' N ' HD13 ' A' ' 60' ' ' LEU . 4.0 p80 -175.82 148.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.582 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.834 ' HG2' HD23 ' A' ' 83' ' ' LEU . 9.2 mtt180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 2.2 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -23.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -73.84 146.39 85.31 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 18.4 Cg_endo -74.94 138.97 23.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.793 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.813 ' HA ' HG22 ' A' ' 78' ' ' VAL . 16.8 m -56.53 -18.6 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -22.87 64.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.23 -16.63 27.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.813 HG22 ' HA ' ' A' ' 75' ' ' VAL . 2.9 m -112.51 34.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.54 25.21 4.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.5 p -152.52 145.28 24.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.959 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 74.53 178.08 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.5 m -110.41 126.22 54.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 110.396 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.834 HD23 ' HG2' ' A' ' 62' ' ' ARG . 15.5 mt -84.15 174.68 10.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.542 HG13 ' CG2' ' A' ' 24' ' ' VAL . 86.4 t -126.97 137.12 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.611 HD21 ' HB ' ' A' ' 58' ' ' VAL . 2.7 tm? -110.4 138.97 46.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.419 ' N ' HD13 ' A' ' 85' ' ' LEU . 18.8 t0 -125.49 95.21 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.404 ' CG2' ' CD1' ' A' ' 85' ' ' LEU . 79.5 p -72.03 157.36 89.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 111.024 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 1.006 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.8 pp -107.79 151.18 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.48 HG23 ' HB3' ' A' ' 33' ' ' SER . 3.0 m -128.55 153.05 47.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 46.8 p90 -153.31 163.94 39.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -101.03 163.23 12.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -137.81 147.54 44.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -102.87 119.87 39.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -92.39 74.81 5.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.417 ' CG2' HG13 ' A' ' 84' ' ' VAL . 66.5 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 1.0 OUTLIER -116.01 162.38 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HD3' HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -120.44 142.35 49.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.585 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 8.8 mt -128.09 133.2 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.48 ' HB3' HG23 ' A' ' 18' ' ' THR . 70.8 p -122.05 134.7 54.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.53 155.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.25 151.73 2.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.722 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.0 Cg_endo -75.08 -59.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . 79.3 p -37.84 -53.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -41.08 155.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.411 ' NH1' ' HD3' ' A' ' 74' ' ' PRO . 1.2 mmp_? -78.69 -175.9 4.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.979 HD21 HG21 ' A' ' 78' ' ' VAL . 2.0 mt -84.68 -26.55 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.612 ' HB2' HD22 ' A' ' 55' ' ' LEU . 1.9 pt20 -84.8 -38.71 19.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.451 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 14.9 mm-40 -71.68 -24.45 61.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.68 -25.6 24.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.29 -16.42 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.531 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -52.8 -50.2 82.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -74.97 -3.31 13.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.426 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 16.0 mm -100.23 -42.83 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' LEU . 8.1 mt -72.79 -26.15 61.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.78 -33.66 60.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 1.49 57.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 28.7 m80 -123.58 4.47 8.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.606 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.13 25.18 56.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' LEU . 80.9 mt -97.4 -168.52 1.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.66 174.81 11.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.039 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 41' ' ' GLN . 7.0 mt -94.88 -13.54 25.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.67 7.18 18.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.24 -47.0 4.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.434 ' HB ' HD21 ' A' ' 85' ' ' LEU . 6.9 m -89.12 171.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.7 t -141.44 123.47 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.708 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -102.13 139.41 37.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.708 ' N ' HD13 ' A' ' 60' ' ' LEU . 15.2 p80 -172.84 117.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.576 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -76.57 -2.98 35.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -98.31 152.86 38.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.411 ' HD3' ' NH1' ' A' ' 39' ' ' ARG . 18.3 Cg_endo -74.97 139.97 24.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.722 HG23 ' HA ' ' A' ' 36' ' ' PRO . 6.3 m -53.01 -21.63 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.5 p -52.89 -23.05 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.984 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.45 -39.86 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.979 HG21 HD21 ' A' ' 40' ' ' LEU . 16.1 m -91.99 36.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 1.006 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -123.03 58.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.5 t -161.35 -54.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -101.79 179.04 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -92.99 136.08 33.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.421 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.909 HD11 ' HB ' ' A' ' 78' ' ' VAL . 28.5 mt -96.19 163.24 13.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.417 HG13 ' CG2' ' A' ' 24' ' ' VAL . 73.8 t -127.13 119.24 52.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.71 HD13 ' N ' ' A' ' 86' ' ' ASP . 2.6 tm? -103.5 138.2 40.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.71 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -125.42 90.52 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 42.6 p -57.78 158.95 10.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.958 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.78 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.5 pp -105.09 152.29 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 m -130.06 156.03 45.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 49.9 p90 -154.82 166.07 34.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -101.15 161.8 13.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.47 HD12 HD11 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -134.9 135.61 41.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -97.72 108.52 21.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -82.64 80.63 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.501 ' CG2' HG13 ' A' ' 84' ' ' VAL . 20.6 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.8 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.7 m -125.23 159.15 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 32' ' ' ILE . 23.7 ttp180 -114.81 144.32 43.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.583 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 7.0 mt -130.83 129.7 63.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.5 p -119.59 134.59 55.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.42 154.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -48.97 151.02 2.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.68 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.96 -58.86 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.543 1.812 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' PRO . 22.3 p -38.28 -48.05 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.476 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -47.53 167.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -93.31 -172.74 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.079 HD11 HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -86.59 -23.68 25.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -85.61 -39.53 17.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.6 mm-40 -75.82 -21.9 56.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.9 -24.1 22.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.84 -18.14 19.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.557 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -53.89 -48.3 94.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.95 -4.59 15.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 18.6 mm -101.03 -49.67 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' LEU . 31.0 mt -68.29 -31.43 70.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.14 -28.12 63.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -96.39 1.02 51.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 28.6 m80 -121.03 8.79 10.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.556 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.78 17.54 54.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' LEU . 39.2 mt -94.53 -173.48 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.4 m -150.58 165.56 32.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.529 HD11 ' HG2' ' A' ' 45' ' ' GLN . 13.7 mt -81.55 -16.63 51.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.91 31.32 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -139.42 -62.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.579 ' HB ' HD21 ' A' ' 85' ' ' LEU . 14.7 m -66.73 149.61 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.76 105.29 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.617 HD11 ' HB3' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -87.32 139.79 30.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.542 ' H ' HD13 ' A' ' 60' ' ' LEU . 17.2 p80 -174.12 115.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.57 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.458 ' HG3' ' CD2' ' A' ' 83' ' ' LEU . 3.3 mtt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -49.02 -23.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -71.14 148.22 93.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 18.4 Cg_endo -75.02 133.21 16.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.837 ' HA ' HG22 ' A' ' 78' ' ' VAL . 5.4 m -46.88 -25.92 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' PRO . 3.9 t -47.04 -27.9 1.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.991 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.5 -40.32 23.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.079 HG11 HD11 ' A' ' 40' ' ' LEU . 12.2 m -90.91 39.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -124.96 45.66 2.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.9 t -151.15 -62.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.984 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -94.25 158.47 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.3 m -74.41 131.14 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.769 HD11 ' HB ' ' A' ' 78' ' ' VAL . 32.1 mt -84.77 169.91 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.501 HG13 ' CG2' ' A' ' 24' ' ' VAL . 74.9 t -135.22 122.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 86' ' ' ASP . 0.6 OUTLIER -107.52 132.26 53.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.603 ' N ' HD23 ' A' ' 85' ' ' LEU . 7.6 t0 -111.87 61.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.408 ' CG2' HD22 ' A' ' 85' ' ' LEU . 70.8 p -45.6 156.6 0.41 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.862 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.5 pp -95.3 151.57 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 2.6 m -128.98 153.42 47.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.441 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 47.0 p90 -150.98 164.33 36.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.467 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 30.7 mt-30 -100.92 157.56 16.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.507 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -129.9 139.94 51.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.529 ' HB3' HG13 ' A' ' 84' ' ' VAL . 1.8 tt0 -98.21 115.07 27.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mt -88.45 68.33 8.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.525 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 83.9 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 91.4 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 m -71.52 147.92 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.431 ' HD3' ' CG ' ' A' ' 20' ' ' GLN . 8.9 tpp85 -113.94 149.09 35.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.587 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.5 mt -132.9 138.8 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.444 ' CA ' HG23 ' A' ' 18' ' ' THR . 0.3 OUTLIER -128.75 128.55 44.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.29 153.5 5.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.513 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.96 151.46 0.88 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.678 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -75.08 -58.75 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.473 1.776 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.4 p -38.89 -49.6 1.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.407 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 2.1 mttt -45.31 166.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -92.99 -174.93 3.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.922 HD11 HG11 ' A' ' 78' ' ' VAL . 1.6 mt -84.54 -23.81 29.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.431 ' HB2' HD22 ' A' ' 55' ' ' LEU . 2.9 pt20 -86.47 -41.98 13.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.444 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 58.1 mm-40 -72.53 -23.3 60.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.22 -23.89 26.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.63 -15.65 21.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.535 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -52.2 -49.82 82.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.97 -3.3 13.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 47' ' ' ILE . 13.4 mm -100.68 -46.03 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.703 HD21 HG21 ' A' ' 58' ' ' VAL . 10.7 mt -68.66 -29.55 68.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.43 60.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.43 -4.35 57.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 44.8 m80 -119.02 6.19 11.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.68 19.54 49.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.562 1.164 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.7 mt -92.6 -166.18 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.3 m -148.32 172.9 13.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.431 HD22 ' HB2' ' A' ' 41' ' ' GLN . 25.3 mt -85.96 -23.45 26.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.49 28.24 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -129.82 -64.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.703 HG21 HD21 ' A' ' 48' ' ' LEU . 24.0 m -68.73 127.65 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -103.55 104.92 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -87.11 138.25 31.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.606 ' H ' HD13 ' A' ' 60' ' ' LEU . 2.3 p80 -176.97 136.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.628 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -51.53 -24.01 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.46 148.01 90.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.69 20.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.459 1.768 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.861 ' HA ' HG22 ' A' ' 78' ' ' VAL . 7.0 m -51.29 -24.65 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.4 t -49.58 -33.67 15.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.23 -37.5 53.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.939 ' HB ' HD11 ' A' ' 83' ' ' LEU . 14.1 m -96.07 48.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.862 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -132.43 51.04 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.6 t -154.94 -56.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.06 177.25 6.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -96.65 123.52 40.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.939 HD11 ' HB ' ' A' ' 78' ' ' VAL . 45.8 mt -83.79 159.76 21.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.529 HG13 ' HB3' ' A' ' 22' ' ' GLU . 39.0 t -122.41 125.73 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.672 HD13 HG22 ' A' ' 87' ' ' THR . 0.0 OUTLIER -106.9 124.23 49.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.351 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.423 ' N ' ' CD2' ' A' ' 85' ' ' LEU . 1.3 t70 -101.3 60.69 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.672 HG22 HD13 ' A' ' 85' ' ' LEU . 68.7 p -41.62 155.88 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.426 1.75 . . . . 0.0 111.054 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.789 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.4 pp -101.71 160.19 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 32' ' ' ILE . 6.7 m -135.99 157.33 47.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.414 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 47.1 p90 -153.66 162.32 41.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 23.7 mt-30 -101.36 157.45 16.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.486 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -132.68 136.38 46.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.48 ' HB3' HG13 ' A' ' 84' ' ' VAL . 2.4 tt0 -94.09 130.57 40.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -102.97 70.68 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.0 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.415 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 86.2 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 3.8 m -92.72 156.67 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.86 146.95 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 10.1 mt -132.82 134.17 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 p -120.42 135.99 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.86 163.79 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.513 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.22 150.04 43.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.722 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.97 -57.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' PRO . 31.1 p -37.46 -55.02 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.475 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -41.38 161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -85.04 -176.01 6.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.887 HD12 ' OD1' ' A' ' 73' ' ' ASN . 1.4 mt -84.28 -23.67 30.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.446 ' HB2' HD22 ' A' ' 55' ' ' LEU . 6.2 pt20 -87.71 -36.98 17.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.5 mm-40 -74.29 -24.54 59.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.41 -25.47 25.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.08 -16.05 22.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -53.37 -49.88 85.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.03 -3.04 13.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.54 1.811 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 47' ' ' ILE . 14.6 mm -100.59 -47.83 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.739 HD13 ' C ' ' A' ' 54' ' ' SER . 18.8 mt -62.05 -43.58 98.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.45 -33.82 76.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.35 -5.38 59.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.467 ' CE1' HG23 ' A' ' 47' ' ' ILE . 48.3 m80 -121.55 7.83 10.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.558 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 61.52 13.71 38.99 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' LEU . 50.2 mt -91.19 -165.28 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.739 ' C ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -155.7 -173.5 4.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.056 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.449 HD23 HD11 ' A' ' 48' ' ' LEU . 10.7 mt -99.67 -23.14 15.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -101.89 28.2 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -128.37 -63.33 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.8 m -71.68 175.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.7 t -143.72 108.58 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.782 HD21 HD13 ' A' ' 83' ' ' LEU . 4.9 tp -88.13 131.18 34.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -169.46 122.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.554 HD23 ' HB3' ' A' ' 40' ' ' LEU . 3.0 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -41.12 -30.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.887 ' OD1' HD12 ' A' ' 40' ' ' LEU . 8.9 p30 -73.27 146.8 87.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.13 39.25 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.722 HG23 ' HA ' ' A' ' 36' ' ' PRO . 15.6 m -62.11 -14.35 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -12.71 61.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.82 -4.65 36.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.581 HG21 HD21 ' A' ' 40' ' ' LEU . 5.4 m -127.97 23.47 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.695 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -101.72 74.61 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.08 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -94.18 174.6 7.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -94.87 143.58 26.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.782 HD13 HD21 ' A' ' 60' ' ' LEU . 78.3 mt -103.33 164.45 11.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 22' ' ' GLU . 48.8 t -126.68 134.59 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 tp -112.63 123.08 49.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -105.38 76.38 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 79.8 p -49.27 156.75 0.98 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.396 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.016 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.687 HD11 ' HB ' ' A' ' 75' ' ' VAL . 1.8 pp -106.88 152.35 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 m -132.18 155.79 47.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.581 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 49.7 p90 -153.83 163.17 40.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.452 ' OE1' HG12 ' A' ' 29' ' ' VAL . 9.6 mt-30 -101.32 157.49 16.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.584 HD21 HD21 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -131.42 136.98 48.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -97.2 108.65 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 mt -80.63 69.12 7.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.452 HG12 ' OE1' ' A' ' 20' ' ' GLN . 79.4 t . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.5 m -111.9 160.17 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -117.2 146.08 43.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 7.5 mt -132.66 129.94 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.4 p -120.69 137.35 54.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.93 156.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -51.72 151.46 6.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.727 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.99 -51.53 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.8 p -43.58 -54.41 4.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.48 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 3.5 mttt -42.32 162.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -87.07 -174.11 4.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.125 HD11 HG11 ' A' ' 78' ' ' VAL . 1.1 mt -83.2 -25.75 31.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.574 ' HB2' HD22 ' A' ' 55' ' ' LEU . 8.4 pt20 -86.59 -39.1 16.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.48 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.1 mm-40 -70.02 -26.94 64.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.39 -24.79 25.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.17 -15.74 23.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.528 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.08 -50.33 84.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.097 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.4 Cg_endo -75.01 -3.21 13.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.435 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 18.1 mm -100.29 -43.18 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 53' ' ' LEU . 10.1 mt -72.32 -39.04 68.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.9 65.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -93.39 -10.54 34.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 30.9 m80 -115.06 7.97 15.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.627 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.51 19.75 54.44 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.1 mt -94.07 -169.74 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.09 172.19 14.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.585 HD22 HD13 ' A' ' 71' ' ' LEU . 15.2 mt -88.05 -31.87 19.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.3 35.31 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -135.39 -45.27 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.712 ' HB ' HD21 ' A' ' 85' ' ' LEU . 5.7 m -94.86 147.71 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.656 ' O ' HD22 ' A' ' 85' ' ' LEU . 90.9 t -111.27 123.07 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -108.38 140.23 41.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.802 ' N ' HD13 ' A' ' 60' ' ' LEU . 26.2 p80 -174.96 116.85 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.595 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HB3' ' CD2' ' A' ' 83' ' ' LEU . 9.9 ptm180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.585 HD13 HD22 ' A' ' 55' ' ' LEU . 4.0 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -54.28 -27.92 38.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.82 ' OD1' HD12 ' A' ' 40' ' ' LEU . 9.0 p30 -71.07 144.3 89.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 143.76 29.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.835 ' HA ' HG22 ' A' ' 78' ' ' VAL . 15.9 m -57.59 -17.93 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -19.12 61.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.03 -32.51 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.125 HG11 HD11 ' A' ' 40' ' ' LEU . 4.2 m -92.09 16.28 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.39 141.42 50.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 81' ' ' GLN . 0.4 OUTLIER 72.31 150.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 80' ' ' SER . 1.4 tt0 84.12 -179.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.5 m -118.24 133.33 55.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.797 HD13 HD11 ' A' ' 60' ' ' LEU . 25.5 mt -93.8 172.26 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 73.1 t -127.43 134.0 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.712 HD21 ' HB ' ' A' ' 58' ' ' VAL . 3.3 tm? -118.91 136.19 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.443 ' H ' HD22 ' A' ' 85' ' ' LEU . 9.9 t0 -120.94 79.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 41.2 p -41.55 157.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.348 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.944 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.83 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.7 pp -101.62 151.58 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -129.37 152.55 48.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 49.0 p90 -151.47 162.99 40.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -101.07 157.52 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.695 HD11 HD13 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -127.36 145.09 50.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -102.72 98.1 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.29 70.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.525 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 75.7 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 3.6 m -119.6 157.28 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.89 145.36 42.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.8 mt -129.85 137.45 56.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.1 p -125.03 130.93 53.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.463 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . . . -172.13 152.0 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -47.46 151.34 1.41 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.711 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.99 -60.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.8 p -40.33 -34.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 4.6 mttt -61.17 155.76 19.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -82.16 -176.62 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.899 HD22 ' CD2' ' A' ' 60' ' ' LEU . 1.2 mt -80.37 -20.26 44.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.542 ' HB2' HD22 ' A' ' 55' ' ' LEU . 6.9 pt20 -89.12 -41.17 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 27.6 mt-10 -67.92 -28.79 67.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 34' ' ' ALA . . . -84.52 -28.09 26.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -91.61 -9.48 43.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.516 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -58.97 -50.86 85.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.0 -3.56 14.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.528 HG23 ' CE1' ' A' ' 51' ' ' HIS . 22.0 mm -100.79 -44.69 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 53' ' ' LEU . 13.7 mt -73.05 -55.04 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.25 -38.46 26.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' N ' ' A' ' 52' ' ' GLY . 1.8 tttm -74.75 -74.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.528 ' CE1' HG23 ' A' ' 47' ' ' ILE . 69.7 m80 -41.39 -29.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.553 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 50' ' ' LYS . . . 99.79 28.54 7.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 83.0 mt -105.53 -171.92 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.4 m -139.24 171.77 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.542 HD22 ' HB2' ' A' ' 41' ' ' GLN . 16.8 mt -87.23 -19.72 27.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -109.32 30.83 6.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -130.25 -46.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 m -87.53 155.37 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.5 t -124.35 110.94 26.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.899 ' CD2' HD22 ' A' ' 40' ' ' LEU . 9.3 tp -97.47 136.27 38.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -177.49 134.25 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.626 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.464 ' HG3' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.444 HD13 HD22 ' A' ' 55' ' ' LEU . 2.0 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -103.48 -20.9 13.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -86.86 152.35 53.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.3 Cg_endo -74.96 136.68 20.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.813 ' HA ' HG22 ' A' ' 78' ' ' VAL . 5.2 m -48.28 -24.25 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 74' ' ' PRO . 80.4 p -50.56 -31.24 15.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 109.992 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.58 -37.22 43.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.931 ' HB ' HD11 ' A' ' 83' ' ' LEU . 24.3 m -96.63 48.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.83 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -132.08 64.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.74 -49.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 62' ' ' ARG . 50.6 mm-40 -104.0 -178.32 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.347 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.4 m -100.57 123.68 45.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.931 HD11 ' HB ' ' A' ' 78' ' ' VAL . 85.1 mt -82.99 169.98 15.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.525 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 38.3 t -126.57 132.51 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.695 HD13 HD11 ' A' ' 21' ' ' LEU . 5.5 tp -110.76 126.5 54.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -111.75 76.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.3 p -51.09 157.34 1.5 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 110.945 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.819 HD11 ' HB ' ' A' ' 75' ' ' VAL . 1.8 pp -101.64 151.02 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 32' ' ' ILE . 19.7 m -133.52 158.21 43.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 34.3 p90 -152.42 166.09 33.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.468 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 28.7 mt-30 -101.27 153.88 19.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.493 HD12 HD11 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -128.72 135.1 48.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -97.77 107.12 19.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.81 72.58 1.55 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.494 ' CG2' HG13 ' A' ' 84' ' ' VAL . 66.0 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 93.7 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 m -71.18 150.35 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.468 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 13.4 tpp85 -114.07 150.33 34.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 18' ' ' THR . 10.5 mt -132.85 125.73 52.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.413 ' CA ' HG23 ' A' ' 18' ' ' THR . 0.2 OUTLIER -120.0 130.69 54.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.1 159.25 5.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.553 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -52.83 153.14 6.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.359 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.697 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.92 -58.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.4 p -38.18 -56.68 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.1 mttt -40.17 157.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -82.77 -175.96 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.705 HD21 HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -82.42 -27.55 31.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.543 ' HA ' HD22 ' A' ' 55' ' ' LEU . 18.4 pt20 -82.84 -40.85 19.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.454 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 6.6 mm-40 -70.81 -25.31 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.72 -25.08 24.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.98 -12.9 24.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.671 ' HG2' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -56.79 -49.38 94.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.5 Cg_endo -74.99 -3.69 14.3 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.45 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 20.1 mm -101.04 -49.82 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.809 ' CD1' HD23 ' A' ' 55' ' ' LEU . 40.3 mt -66.32 -41.45 89.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.04 -31.11 72.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.87 -10.84 49.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 36.1 m80 -113.25 9.43 18.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.646 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.33 14.81 35.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' LEU . 68.0 mt -91.65 -174.96 4.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.495 ' C ' HD13 ' A' ' 48' ' ' LEU . 1.2 m -143.59 151.94 40.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.931 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.809 HD23 ' CD1' ' A' ' 48' ' ' LEU . 2.3 mt -68.38 -24.94 64.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -103.31 20.57 17.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.401 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 41.6 mm-40 -116.33 -48.97 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.615 ' HB ' HD21 ' A' ' 85' ' ' LEU . 21.0 m -88.58 164.39 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.651 HG12 ' ND1' ' A' ' 61' ' ' HIS . 23.8 t -129.91 116.31 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.433 HD22 HD22 ' A' ' 40' ' ' LEU . 4.8 tp -97.26 141.01 30.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.651 ' ND1' HG12 ' A' ' 59' ' ' VAL . 20.8 p-80 178.55 118.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.462 ' HG3' HD23 ' A' ' 83' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.36 -38.85 9.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -67.48 153.88 94.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.4 Cg_endo -74.96 140.57 25.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.46 1.769 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.819 ' HB ' HD11 ' A' ' 17' ' ' ILE . 4.3 m -46.72 -26.18 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' PRO . 91.9 p -54.83 -19.07 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.29 -33.05 29.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.905 ' HB ' HD11 ' A' ' 83' ' ' LEU . 6.2 m -84.37 -5.92 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -52.05 122.13 7.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.3 OUTLIER 84.89 154.39 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 78.13 177.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.466 HG23 ' CB ' ' A' ' 20' ' ' GLN . 32.5 m -116.75 119.33 35.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.426 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.905 HD11 ' HB ' ' A' ' 78' ' ' VAL . 16.3 mt -76.25 173.97 10.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.494 HG13 ' CG2' ' A' ' 24' ' ' VAL . 67.0 t -134.4 126.32 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.615 HD21 ' HB ' ' A' ' 58' ' ' VAL . 2.2 tm? -108.36 139.71 42.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.455 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -127.55 81.35 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.52 HG23 HD12 ' A' ' 85' ' ' LEU . 12.6 p -51.61 157.77 1.74 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 110.959 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.608 HD11 ' HB ' ' A' ' 75' ' ' VAL . 1.8 pp -101.74 161.07 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 32' ' ' ILE . 14.7 m -140.17 158.42 44.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 45.1 p90 -154.56 161.58 41.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.45 ' OE1' ' NE ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -100.64 156.81 17.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.567 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -134.12 141.59 47.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -99.27 109.49 22.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mt -79.14 72.14 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.485 ' CG2' HG13 ' A' ' 84' ' ' VAL . 96.4 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.0 m -101.19 160.17 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.516 ' HD2' HG22 ' A' ' 18' ' ' THR . 15.5 tpp85 -122.31 142.57 50.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.638 ' O ' HG23 ' A' ' 18' ' ' THR . 11.2 mt -125.55 132.1 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.6 p -119.53 132.56 55.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.97 161.4 3.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.69 153.06 32.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.741 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.99 -58.35 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.783 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' PRO . 67.7 p -37.11 -53.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -43.91 165.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -90.07 -176.86 5.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.769 HD11 HG11 ' A' ' 78' ' ' VAL . 1.1 mt -82.61 -27.58 31.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.512 ' HB2' HD22 ' A' ' 55' ' ' LEU . 10.4 pt20 -86.72 -33.98 19.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 14.2 mm-40 -73.54 -27.45 61.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.78 -22.52 25.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.58 -15.24 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.525 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.76 -50.51 86.7 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.4 Cg_endo -74.97 -2.93 13.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.527 HG23 ' CE1' ' A' ' 51' ' ' HIS . 17.6 mm -100.55 -49.78 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.519 HD21 HG21 ' A' ' 58' ' ' VAL . 24.0 mt -60.79 -56.85 16.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.47 -49.65 44.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -36.37 81.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.527 ' CE1' HG23 ' A' ' 47' ' ' ILE . 49.6 m80 -88.22 7.76 30.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 60.09 23.14 59.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.8 mt -98.91 -167.93 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.511 ' C ' HD13 ' A' ' 48' ' ' LEU . 12.8 m -144.39 172.92 12.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 41' ' ' GLN . 19.1 mt -86.06 -27.32 24.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -100.11 30.94 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -129.24 -48.64 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.739 ' HB ' HD11 ' A' ' 85' ' ' LEU . 7.2 m -90.9 140.52 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.413 ' O ' HD22 ' A' ' 85' ' ' LEU . 57.3 t -112.83 116.89 53.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 61' ' ' HIS . 1.5 tt -91.08 138.13 31.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.673 ' N ' HD23 ' A' ' 60' ' ' LEU . 23.7 p80 -174.92 114.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.591 ' HB3' HD23 ' A' ' 83' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.422 ' C ' ' N ' ' A' ' 73' ' ' ASN . 2.0 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.402 ' CD ' ' OD1' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -41.36 -28.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.422 ' N ' ' C ' ' A' ' 71' ' ' LEU . 7.6 m-20 -71.35 147.44 92.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 139.68 24.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.421 1.748 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.753 ' HA ' HG22 ' A' ' 78' ' ' VAL . 14.8 m -54.35 -24.17 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -51.8 -24.92 6.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.019 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.75 -25.92 26.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.036 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.769 HG11 HD11 ' A' ' 40' ' ' LEU . 3.6 m -108.33 45.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.22 44.91 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -174.81 161.8 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.962 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 60.93 170.01 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 54.5 m -102.29 126.32 49.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.591 HD23 ' HB3' ' A' ' 62' ' ' ARG . 21.6 mt -85.13 176.14 8.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.485 HG13 ' CG2' ' A' ' 24' ' ' VAL . 58.1 t -133.38 124.52 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.739 HD11 ' HB ' ' A' ' 58' ' ' VAL . 1.6 tm? -104.61 143.26 33.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.731 ' N ' HD13 ' A' ' 85' ' ' LEU . 7.1 t0 -124.58 91.07 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.7 p -64.59 157.24 74.4 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 111.029 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.617 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.9 pp -105.89 154.33 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.424 HG23 ' HB3' ' A' ' 33' ' ' SER . 2.6 m -128.1 152.59 47.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 48.8 p90 -151.33 161.88 41.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 15.4 mt-30 -101.2 157.78 16.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -132.52 142.26 49.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.1 tt0 -100.01 112.53 24.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -84.26 70.72 10.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.228 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.56 ' CG2' HG13 ' A' ' 84' ' ' VAL . 84.8 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.0 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.4 OUTLIER -121.98 164.15 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -118.83 142.19 47.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.587 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 6.3 mt -129.08 136.61 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.424 ' HB3' HG23 ' A' ' 18' ' ' THR . 71.7 p -123.51 134.76 53.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.74 160.43 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.503 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -55.36 151.52 19.19 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.738 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.97 -57.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' PRO . 38.5 p -38.14 -52.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -43.17 164.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -89.4 -178.47 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.05 -24.45 32.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.469 ' HB2' HD22 ' A' ' 55' ' ' LEU . 14.8 pt20 -87.12 -36.08 18.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -77.61 -24.86 49.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.03 -27.42 26.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.47 -15.86 25.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.544 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -52.08 -49.37 84.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.05 -3.28 13.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.536 HG23 ' CE1' ' A' ' 51' ' ' HIS . 15.0 mm -100.72 -46.54 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 53' ' ' LEU . 7.9 mt -67.35 -34.64 77.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.53 -22.47 61.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.33 -8.48 32.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.536 ' CE1' HG23 ' A' ' 47' ' ' ILE . 47.4 m80 -116.95 9.45 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.613 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.54 18.35 51.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' LEU . 48.8 mt -95.2 -167.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.34 178.98 8.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 41' ' ' GLN . 12.5 mt -91.69 -31.45 15.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.22 36.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -135.12 -48.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.84 ' HB ' HD21 ' A' ' 85' ' ' LEU . 17.4 m -92.53 167.45 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.1 t -131.7 116.83 32.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -92.69 138.65 31.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -173.49 142.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.078 . . . . 0.0 109.585 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.4 ' C ' ' N ' ' A' ' 73' ' ' ASN . 1.8 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -44.55 -26.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 71' ' ' LEU . 11.3 m-20 -74.9 148.39 84.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 144.84 30.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.738 HG23 ' HA ' ' A' ' 36' ' ' PRO . 13.3 m -56.61 -21.79 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.32 -20.49 43.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.68 -9.67 53.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.498 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 3.6 m -127.42 46.06 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.7 133.95 36.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.66 -61.57 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -45.35 153.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.0 m -94.17 147.0 23.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' GLU . 16.6 mt -118.65 159.16 24.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.56 HG13 ' CG2' ' A' ' 24' ' ' VAL . 81.0 t -118.46 118.7 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.84 HD21 ' HB ' ' A' ' 58' ' ' VAL . 3.4 tm? -101.69 137.11 40.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.568 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -124.32 94.84 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.4 HG23 ' CD1' ' A' ' 85' ' ' LEU . 25.5 p -62.94 157.62 59.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 110.997 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m 64.58 119.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 110.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p -136.43 167.65 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.14 -172.27 37.17 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.18 161.95 12.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.95 167.31 17.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.59 -175.27 28.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.85 165.7 26.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -120.76 163.26 18.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -128.58 104.19 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.24 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.9 m -132.51 161.23 41.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 137.27 58.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.68 111.8 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -96.5 81.49 3.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -168.98 161.17 10.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -51.89 125.89 16.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.983 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.7 pp -103.48 165.68 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 32' ' ' ILE . 24.6 m -142.28 161.22 38.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 41.9 p90 -156.75 164.25 38.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -101.26 159.96 14.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.671 HD11 HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -132.08 138.69 48.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.452 ' HB3' HG13 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -93.93 117.86 30.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.4 mt -88.99 68.98 8.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.501 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 89.8 t -39.97 -59.11 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.7 -42.84 53.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.508 HD22 ' H ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -92.49 -153.37 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.771 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.508 ' H ' HD22 ' A' ' 26' ' ' LEU . 8.2 tp10 -150.83 74.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 179.08 149.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -95.99 123.44 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.4 m -104.91 160.01 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 32' ' ' ILE . 9.4 ttt180 -118.68 145.71 45.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.603 HD11 HD12 ' A' ' 21' ' ' LEU . 8.1 mt -131.53 125.04 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.414 ' CA ' HG23 ' A' ' 18' ' ' THR . 91.2 p -116.64 138.72 51.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.14 162.57 1.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.52 152.51 33.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.742 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -74.99 -55.36 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.771 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.4 p -38.13 -53.96 1.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.439 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER -44.53 166.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -93.2 -174.09 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.059 HD11 HG11 ' A' ' 78' ' ' VAL . 1.4 mt -85.14 -22.37 28.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.508 ' HB2' HD22 ' A' ' 55' ' ' LEU . 8.6 pt20 -88.63 -37.1 15.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.251 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 5.1 mm-40 -75.26 -27.5 59.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.03 -25.84 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -91.76 -14.42 29.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.517 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -52.33 -50.7 78.13 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.06 -3.15 13.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 47' ' ' ILE . 21.9 mm -99.97 -42.79 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 54' ' ' SER . 16.3 mt -71.91 -39.87 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.91 -15.44 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -102.57 -5.98 23.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -121.28 8.73 10.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.587 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.25 17.47 61.62 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.557 1.161 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' LEU . 14.0 mt -97.06 -164.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.64 ' C ' HD13 ' A' ' 48' ' ' LEU . 58.2 m -156.83 170.73 21.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.508 HD22 ' HB2' ' A' ' 41' ' ' GLN . 12.6 mt -81.24 -17.15 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -107.61 15.23 24.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -114.12 -47.7 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.9 m -93.59 168.11 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 92.5 t -140.79 126.63 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.668 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -97.93 139.76 33.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.668 ' N ' HD13 ' A' ' 60' ' ' LEU . 3.8 p80 -176.29 119.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.572 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 -49.14 161.66 0.43 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 112.49 3.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.541 1.811 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.37 53.86 1.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.103 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -119.69 -175.75 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -113.28 -44.3 3.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -124.56 163.88 33.99 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.467 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.01 128.35 11.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 45.0 mtp -55.06 156.53 3.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.28 123.62 34.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.404 ' C ' ' N ' ' A' ' 73' ' ' ASN . 1.9 mt -66.79 -32.89 74.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -44.42 -26.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 71' ' ' LEU . 8.2 m-20 -70.94 148.44 94.55 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.92 27.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.742 HG23 ' HA ' ' A' ' 36' ' ' PRO . 8.1 m -57.36 -19.51 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -15.81 30.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -102.01 -5.53 24.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.059 HG11 HD11 ' A' ' 40' ' ' LEU . 2.1 m -121.19 29.86 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.983 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -116.3 70.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.07 -67.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.97 178.12 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.3 m -93.46 133.24 36.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.611 ' HB3' HD11 ' A' ' 60' ' ' LEU . 2.6 mt -93.89 174.68 7.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.501 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 53.2 t -127.23 141.6 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.671 HD13 HD11 ' A' ' 21' ' ' LEU . 4.5 tp -112.65 127.54 56.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -110.95 81.55 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.7 p -58.56 158.77 14.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 155.03 42.98 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.531 1.806 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.47 4.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 169.03 125.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -164.24 122.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -114.34 -56.08 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.7 mtt -79.95 92.27 5.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.3 p -166.08 161.41 17.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.92 147.84 40.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 61.04 170.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.24 108.67 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.11 96.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.69 154.21 39.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.004 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -133.58 157.8 22.94 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 179.5 6.03 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.546 1.814 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.62 160.54 28.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.055 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p -160.17 170.15 21.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.004 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.65 168.04 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.68 153.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.88 160.41 33.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.63 166.34 26.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.6 163.0 29.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.058 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.15 -138.77 14.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -58.8 128.11 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -148.85 176.65 10.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.23 78.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.569 ' O ' HG12 ' A' ' 11' ' ' VAL . 46.9 t -124.53 37.75 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.7 mmm-85 -142.18 121.41 13.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tp -169.49 63.17 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.481 ' O ' ' ND2' ' A' ' 15' ' ' ASN . 18.6 mt-10 61.91 93.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -163.84 148.41 10.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -160.96 125.75 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.758 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.6 pp -101.91 151.27 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 32' ' ' ILE . 8.9 m -129.43 157.98 40.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 43.8 p90 -154.71 163.29 40.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.459 ' CG ' ' HD3' ' A' ' 31' ' ' ARG . 6.3 mt-30 -102.32 156.16 17.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.467 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -128.9 152.06 48.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -112.27 95.17 5.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.7 73.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.511 HG23 HG13 ' A' ' 84' ' ' VAL . 41.8 t -48.33 -24.38 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.73 -66.0 1.38 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -52.82 -35.82 57.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.8 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 4.8 mt-10 82.69 49.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -166.95 157.12 11.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.7 t -90.51 151.45 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -144.44 163.35 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HD3' ' CG ' ' A' ' 20' ' ' GLN . 4.8 tpp180 -122.45 145.41 48.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.579 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.8 mt -130.43 134.23 62.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.457 ' CA ' HG23 ' A' ' 18' ' ' THR . 0.7 OUTLIER -123.14 129.8 51.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.973 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.3 156.74 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.91 151.08 3.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.729 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.94 -58.23 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.528 1.804 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' PRO . 75.5 p -38.28 -50.97 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.425 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.2 mttm -44.17 166.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 74' ' ' PRO . 9.4 mtm180 -94.03 -179.1 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.819 HD13 HD21 ' A' ' 60' ' ' LEU . 3.0 mt -79.92 -24.47 41.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' N ' ' HB3' ' A' ' 71' ' ' LEU . 6.3 pt20 -85.8 -38.76 17.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.254 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 1.9 mm-40 -75.12 -24.7 58.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.24 -24.57 25.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.41 -12.5 24.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.525 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.98 -50.43 88.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.0 Cg_endo -75.07 -3.05 13.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.452 1.764 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.45 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 17.0 mm -100.58 -48.79 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.771 ' CD1' HD23 ' A' ' 55' ' ' LEU . 35.5 mt -65.47 -44.81 86.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.04 -36.97 80.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -81.32 -11.65 59.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 31.3 m80 -112.46 7.76 19.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.562 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 59.71 20.53 52.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.541 1.151 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' LEU . 32.4 mt -94.61 -170.94 2.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.3 m -145.67 162.15 38.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.771 HD23 ' CD1' ' A' ' 48' ' ' LEU . 25.7 mt -78.16 -32.21 50.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -96.16 37.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -137.28 -54.69 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.661 ' HB ' HD11 ' A' ' 85' ' ' LEU . 27.0 m -83.94 140.48 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 85.0 t -107.46 109.23 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.958 HD11 HD13 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -92.14 133.41 35.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -176.03 139.9 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.644 ' HG3' HD23 ' A' ' 83' ' ' LEU . 11.9 mtt180 -59.5 167.96 2.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.542 ' HB3' HG21 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.99 139.8 24.72 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 43.33 68.54 0.79 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.041 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -107.49 -97.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.36 -39.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -149.01 168.28 11.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.02 127.22 10.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.8 mtm -67.98 154.57 41.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -92.2 122.06 34.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.55 HD23 HD22 ' A' ' 60' ' ' LEU . 2.7 mt -56.44 -19.69 16.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.58 -30.69 13.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -68.36 147.16 98.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 18.3 Cg_endo -74.99 146.6 32.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.812 ' HA ' HG22 ' A' ' 78' ' ' VAL . 17.1 m -62.78 -16.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.0 p -62.42 -13.88 34.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.93 -33.09 12.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.812 HG22 ' HA ' ' A' ' 75' ' ' VAL . 27.3 m -94.98 39.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.469 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -119.58 71.27 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.02 -66.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -89.2 171.25 9.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.4 m -93.04 130.79 38.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.397 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.958 HD13 HD11 ' A' ' 60' ' ' LEU . 69.8 mt -84.95 174.19 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.542 HG21 ' HB3' ' A' ' 63' ' ' PRO . 70.0 t -135.85 117.78 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.712 HD13 ' N ' ' A' ' 86' ' ' ASP . 1.5 tm? -99.68 140.5 33.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.712 ' N ' HD13 ' A' ' 85' ' ' LEU . 3.9 t0 -125.13 80.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.0 p -48.5 157.11 0.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 160.61 39.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.799 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -75.02 56.19 4.19 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 89' ' ' PRO . 1.6 m-20 160.49 126.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -151.2 -59.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt 55.55 99.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -151.59 155.55 38.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.84 99.77 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.82 75.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.0 146.86 27.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -171.84 111.56 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.88 163.27 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 95.9 p -129.08 142.99 50.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.36 97.35 0.94 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 168.93 23.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.15 160.79 37.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.35 170.72 8.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.95 160.36 21.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 109.998 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 179.54 166.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.96 128.26 1.58 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -163.15 115.47 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.975 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.53 146.1 3.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.89 141.91 3.29 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -148.34 165.84 29.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -122.4 176.15 6.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.597 ' O ' HG22 ' A' ' 11' ' ' VAL . 0.0 OUTLIER 176.43 72.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 10' ' ' GLU . 16.8 m 47.06 -171.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.94 139.62 31.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -158.37 -57.23 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -179.13 109.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -160.47 115.53 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -140.35 129.78 24.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.695 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.7 pp -103.98 155.37 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 33' ' ' SER . 2.6 m -134.8 152.93 52.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 45.5 p90 -153.89 163.99 39.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -101.09 160.86 14.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.571 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -131.0 140.48 50.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.532 ' HB3' HG13 ' A' ' 84' ' ' VAL . 1.4 tt0 -95.3 112.63 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 26' ' ' LEU . 5.2 mt -84.46 69.49 10.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.454 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 84.5 t -39.24 -63.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -49.78 -38.0 29.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.431 HD22 ' H ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -96.83 -155.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 0.783 . . . . 0.0 109.351 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' H ' HD22 ' A' ' 26' ' ' LEU . 1.2 pt-20 -150.71 67.15 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -170.58 142.29 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.7 t -90.72 115.34 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.14 157.05 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.415 ' HD3' HG21 ' A' ' 18' ' ' THR . 32.9 ttm180 -116.53 146.1 42.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 7.9 mt -131.01 129.34 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.556 ' HB3' HG23 ' A' ' 18' ' ' THR . 78.5 p -121.21 135.85 55.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.44 160.42 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.488 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -51.87 150.39 7.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.715 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.97 -59.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.2 p -37.98 -48.97 1.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.2 mttm -45.27 168.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -94.0 -176.46 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.746 HD11 HG11 ' A' ' 78' ' ' VAL . 1.7 mt -82.85 -26.85 31.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.456 ' HB2' HD22 ' A' ' 55' ' ' LEU . 11.6 pt20 -85.71 -37.69 19.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.0 mm-40 -72.95 -24.72 60.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.93 -23.24 25.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -94.82 -18.82 20.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.535 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -52.05 -49.83 82.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.0 -2.93 13.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.483 HG23 ' CE1' ' A' ' 51' ' ' HIS . 21.6 mm -100.7 -49.73 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.613 HD13 ' C ' ' A' ' 54' ' ' SER . 18.2 mt -61.02 -47.61 85.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.38 73.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.21 -3.1 58.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.483 ' CE1' HG23 ' A' ' 47' ' ' ILE . 41.4 m80 -123.63 7.39 8.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 62.01 23.8 64.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.69 -163.83 1.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 0.752 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.613 ' C ' HD13 ' A' ' 48' ' ' LEU . 5.0 m -155.57 173.84 16.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.033 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 41' ' ' GLN . 14.8 mt -85.02 -26.53 26.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -98.57 37.91 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -139.54 -55.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.909 ' HB ' HD11 ' A' ' 85' ' ' LEU . 10.8 m -83.75 138.22 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.548 HG13 ' HB3' ' A' ' 68' ' ' PRO . 21.1 t -111.97 109.07 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.682 HD11 HD13 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -91.5 137.3 32.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 68' ' ' PRO . 17.9 p80 -169.17 115.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.622 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.02 159.68 0.26 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 103.97 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.6 -51.31 0.84 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -46.48 161.84 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.774 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -97.22 -73.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.17 165.06 47.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.548 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -75.03 127.23 10.49 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.11 173.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -112.49 110.6 20.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.413 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.1 mt -54.89 -25.12 26.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -49.42 -23.87 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -74.65 147.67 84.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.33 25.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.837 ' HA ' HG22 ' A' ' 78' ' ' VAL . 12.4 m -55.34 -19.61 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.2 p -55.69 -33.85 64.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.54 -38.98 54.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.837 HG22 ' HA ' ' A' ' 75' ' ' VAL . 17.7 m -92.51 46.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.609 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -125.99 78.14 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.54 -59.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.987 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -96.53 168.79 10.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.6 m -88.7 129.71 35.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.682 HD13 HD11 ' A' ' 60' ' ' LEU . 23.4 mt -86.41 171.8 10.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.532 HG13 ' HB3' ' A' ' 22' ' ' GLU . 46.4 t -126.79 139.94 50.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.909 HD11 ' HB ' ' A' ' 58' ' ' VAL . 0.6 OUTLIER -122.18 139.59 53.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.784 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -125.38 83.46 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.4 p -55.29 156.85 7.26 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.85 42.08 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 56.47 4.25 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.459 1.768 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 t0 174.7 99.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -152.23 -72.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.91 129.92 4.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 mtt -55.8 -47.31 77.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.33 81.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.964 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.24 122.9 9.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.51 162.29 13.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -158.91 142.03 14.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.9 m 55.93 85.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.9 -179.04 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.77 101.77 1.17 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 160.95 39.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.8 m 43.91 81.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.997 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.8 p -130.11 96.98 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -160.07 168.58 25.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 0.761 . . . . 0.0 109.952 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 t -152.42 161.1 43.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 110.029 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.22 167.51 14.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 m 61.08 158.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -179.56 161.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.033 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.2 179.7 48.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.35 160.26 15.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.545 ' HB2' HG21 ' A' ' 37' ' ' THR . 1.6 mt-30 -127.12 171.58 11.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 176.6 123.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.499 HG23 ' H ' ' A' ' 12' ' ' ARG . 15.9 m -141.63 -55.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.499 ' H ' HG23 ' A' ' 11' ' ' VAL . 14.6 mmt-85 -135.75 87.67 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 53.32 90.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -124.89 94.21 4.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -130.91 155.15 47.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.03 124.94 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 1.04 HD13 ' HB2' ' A' ' 79' ' ' ALA . 2.0 pp -103.03 160.2 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.441 HG23 ' HB3' ' A' ' 33' ' ' SER . 3.1 m -135.93 154.14 51.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 51.2 p90 -153.89 163.64 39.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -101.18 162.87 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.552 HD12 HD11 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -134.7 146.01 49.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.9 tt0 -103.29 111.92 24.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mt -84.14 73.39 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 91.4 t -47.95 130.2 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.77 52.02 2.91 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.453 1.096 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.966 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER 171.76 -33.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 70.53 64.6 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.608 ' HB2' HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -144.47 128.81 17.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.4 t -99.83 120.14 48.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.1 m -108.88 160.18 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HD3' HG21 ' A' ' 18' ' ' THR . 0.3 OUTLIER -117.19 142.76 46.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.584 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 9.5 mt -128.45 133.41 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.441 ' HB3' HG23 ' A' ' 18' ' ' THR . 77.9 p -122.31 135.86 54.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.4 161.66 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -54.61 152.01 13.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.698 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -75.01 -56.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.545 HG21 ' HB2' ' A' ' 9' ' ' GLN . 21.2 p -38.54 -57.15 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.469 ' CE ' ' HE3' ' A' ' 35' ' ' LYS . 1.2 tttm -41.12 160.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 74' ' ' PRO . 37.8 mtt180 -90.55 -175.85 4.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.947 HD11 HG11 ' A' ' 78' ' ' VAL . 3.7 mt -78.04 -21.15 51.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -87.5 -40.38 14.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 30.9 mt-10 -73.48 -24.47 60.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.35 -28.26 21.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.97 -8.73 39.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.667 ' HG2' HD11 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -62.31 -49.52 83.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.08 -4.53 15.52 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.463 HG23 ' CE1' ' A' ' 51' ' ' HIS . 19.9 mm -101.46 -56.24 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.612 ' CD1' HD23 ' A' ' 55' ' ' LEU . 64.6 mt -58.83 -43.31 90.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.26 96.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -79.52 -4.13 49.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.463 ' CE1' HG23 ' A' ' 47' ' ' ILE . 26.4 m80 -115.93 10.38 15.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.618 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.63 12.92 36.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' LEU . 44.7 mt -90.29 -163.52 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 0.725 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -158.07 161.29 38.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.667 HD11 ' HG2' ' A' ' 45' ' ' GLN . 15.6 mt -76.69 -33.32 58.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.27 36.16 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 57' ' ' GLN . 11.1 mm-40 -135.52 -54.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.698 ' HB ' HD11 ' A' ' 85' ' ' LEU . 9.5 m -82.37 173.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 17.2 t -136.7 133.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -111.45 140.81 45.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.703 ' N ' HD13 ' A' ' 60' ' ' LEU . 15.2 p80 -175.45 114.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.597 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.63 ' HG2' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -48.03 157.42 0.64 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 89.74 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.438 1.757 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.98 -47.62 0.63 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -51.71 166.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' NZ ' ' OE1' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -126.06 59.28 1.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.402 ' OE1' ' NZ ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER 172.4 158.14 0.25 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -74.97 106.17 2.22 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.447 1.762 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -58.35 95.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -40.27 150.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.67 36.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -94.55 -31.15 14.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -73.93 149.24 87.58 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 18.3 Cg_endo -75.02 141.83 27.05 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.881 ' HA ' HG22 ' A' ' 78' ' ' VAL . 9.1 m -51.45 -22.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.8 p -52.81 -32.55 44.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -79.46 -39.45 32.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.947 HG11 HD11 ' A' ' 40' ' ' LEU . 5.2 m -89.63 43.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.04 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -127.58 56.29 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 t -150.47 -57.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.045 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.31 -173.83 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.7 m -96.15 139.82 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.829 HD11 ' HB ' ' A' ' 78' ' ' VAL . 97.7 mt -97.76 168.74 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.446 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 58.2 t -126.22 135.39 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.867 HD13 ' N ' ' A' ' 86' ' ' ASP . 1.0 OUTLIER -114.9 137.8 51.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.867 ' N ' HD13 ' A' ' 85' ' ' LEU . 5.9 t70 -122.9 90.81 3.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.5 p -57.43 157.02 14.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.3 38.96 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.62 4.33 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 1.6 p-10 175.13 -47.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 90' ' ' ASP . . . 69.5 -65.66 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 90' ' ' ASP . 6.8 tptt -148.94 -61.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -38.5 134.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.51 177.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -42.46 160.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 60.51 -174.27 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.8 143.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.1 t 69.7 -70.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 m 73.48 -170.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 71.62 82.63 0.26 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -49.12 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.471 1.774 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.8 p -166.55 172.69 10.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.9 t -66.78 138.86 57.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.985 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.13 -58.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 p 56.68 167.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.965 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.36 155.78 9.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p -177.93 166.03 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 110.007 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.18 170.05 3.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.9 136.75 5.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -169.89 123.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -178.09 166.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -131.7 146.93 52.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.26 169.4 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.42 120.37 1.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 60.07 169.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -167.16 116.66 0.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -70.73 162.74 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -141.56 126.97 18.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.691 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.7 pp -98.57 155.16 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 4.3 m -129.87 155.12 46.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 46.8 p90 -152.9 161.02 43.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 1.6 mt-30 -101.28 158.53 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.2 147.46 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.61 ' HB3' HG13 ' A' ' 84' ' ' VAL . 1.4 tt0 -105.2 97.6 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' LEU . 17.9 mt -70.75 69.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.623 HG23 HG13 ' A' ' 84' ' ' VAL . 25.4 t -39.62 -36.66 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.27 -46.37 63.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.645 HD21 ' CD ' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -134.35 129.67 35.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.3 99.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.645 ' CD ' HD21 ' A' ' 26' ' ' LEU . 7.9 ptm180 179.94 143.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.6 t -106.85 126.68 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -111.25 164.92 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.421 ' HD2' HG22 ' A' ' 18' ' ' THR . 12.6 tpp85 -127.88 139.47 52.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 11.1 mt -124.39 137.91 55.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.48 ' CA ' HG23 ' A' ' 18' ' ' THR . 0.8 OUTLIER -125.54 124.45 41.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.46 162.41 24.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -55.88 150.07 30.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.742 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.97 -56.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.523 1.801 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' PRO . 7.7 p -38.05 -51.23 1.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -45.83 169.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -94.64 -177.43 4.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.575 HD11 HG11 ' A' ' 78' ' ' VAL . 1.2 mt -81.61 -28.12 33.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -83.54 -37.69 22.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.485 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -73.78 -24.89 59.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.48 -24.04 25.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.02 -14.67 24.12 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.523 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.71 -50.65 85.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.5 Cg_endo -74.99 -3.22 13.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 18.3 mm -100.27 -46.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' LEU . 7.9 mt -65.81 -47.03 76.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.45 76.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.71 -16.32 54.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 35.9 m80 -108.73 7.9 26.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 63.1 11.47 38.87 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' LEU . 16.2 mt -87.6 -168.86 2.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.456 ' HB2' ' CG ' ' A' ' 57' ' ' GLN . 67.9 m -153.03 166.52 32.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.1 mt -79.92 -28.76 39.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -100.62 30.56 3.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 69.1 mm-40 -131.76 -47.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.855 ' HB ' HD21 ' A' ' 85' ' ' LEU . 3.2 m -94.84 148.62 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.2 t -117.54 130.79 71.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.526 HD13 ' H ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -106.4 146.75 30.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.526 ' H ' HD13 ' A' ' 60' ' ' LEU . 26.1 p80 -175.27 116.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -46.22 161.26 0.27 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.347 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HB3' HG21 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.01 101.88 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.55 -46.38 1.08 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -54.29 164.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.16 -70.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.85 160.15 48.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.254 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.38 24.15 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.8 172.1 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -106.48 122.87 47.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.468 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.4 mt -73.65 -27.91 61.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -52.12 -20.86 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -75.89 149.52 82.98 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.06 22.54 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.772 ' HA ' HG22 ' A' ' 78' ' ' VAL . 15.6 m -55.91 -20.23 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.0 t -54.51 -26.94 34.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.964 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -39.34 23.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.772 HG22 ' HA ' ' A' ' 75' ' ' VAL . 34.3 m -92.53 45.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.66 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -122.33 72.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.95 -60.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.99 165.43 15.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.3 m -93.59 135.07 35.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.501 HD11 ' HB ' ' A' ' 78' ' ' VAL . 4.8 mt -96.78 165.48 12.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.623 HG13 HG23 ' A' ' 24' ' ' VAL . 47.2 t -124.77 123.25 65.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.855 HD21 ' HB ' ' A' ' 58' ' ' VAL . 1.0 OUTLIER -103.81 137.28 42.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.581 ' H ' HD22 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -121.41 95.43 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.555 ' CG2' HD11 ' A' ' 85' ' ' LEU . 39.9 p -58.64 158.84 14.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.68 15.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.86 4.07 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.8 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -172.62 -170.87 0.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.86 97.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -90.29 129.05 36.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.19 173.4 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.29 100.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.74 172.97 6.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.53 177.36 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.74 138.8 19.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -179.01 157.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.6 p -47.04 114.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -124.33 157.32 18.65 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -179.05 4.6 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.449 1.763 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.3 p -153.77 168.09 27.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.7 p -111.67 156.88 21.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t 61.42 143.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 0.766 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -164.2 -58.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.12 133.48 2.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.57 109.81 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.979 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.02 148.29 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.05 95.27 1.58 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.28 105.56 7.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -174.72 54.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 73.44 173.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.588 HG12 ' HG2' ' A' ' 12' ' ' ARG . 6.6 t 62.76 148.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.588 ' HG2' HG12 ' A' ' 11' ' ' VAL . 0.5 OUTLIER 61.98 156.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.84 -63.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 59.02 88.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -112.98 158.51 20.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.3 mtm-85 -40.8 127.7 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.782 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.6 pp -101.67 152.17 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 33' ' ' SER . 3.2 m -128.78 153.59 47.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 47.3 p90 -153.72 163.81 39.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -101.42 164.17 11.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.592 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -140.25 136.07 32.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.9 tt0 -92.07 116.19 28.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.65 74.11 8.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.435 ' CG2' HG13 ' A' ' 84' ' ' VAL . 48.0 t -50.82 113.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.245 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.88 -85.64 0.23 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.924 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -63.38 -15.4 57.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.781 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 65.08 97.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.738 ' HD2' HD21 ' A' ' 26' ' ' LEU . 2.2 ptm85 179.87 163.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.0 t -118.96 130.24 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -116.24 166.36 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -125.23 140.95 52.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.585 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.5 mt -127.4 132.82 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.499 ' HB3' HG23 ' A' ' 18' ' ' THR . 39.7 p -121.39 132.4 54.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.033 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -174.61 151.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.515 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.58 152.34 0.7 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.687 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -75.03 -58.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 36' ' ' PRO . 67.9 p -38.5 -51.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.4 mttm -43.62 164.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.9 mtm-85 -91.79 -177.34 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.848 HD21 HG21 ' A' ' 78' ' ' VAL . 1.2 mt -81.33 -23.98 37.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 8.1 pt20 -84.89 -42.71 14.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.9 mm-40 -71.96 -24.41 61.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.255 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.72 -25.28 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.83 -9.78 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.556 ' HG2' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -58.32 -49.04 95.77 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.339 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.96 -4.22 15.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.447 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 20.9 mm -100.99 -49.54 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.812 ' CD1' HD23 ' A' ' 55' ' ' LEU . 41.0 mt -68.69 -25.52 64.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.14 -36.14 40.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.66 1.08 53.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 28.7 m80 -120.72 5.61 10.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.64 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.53 15.32 46.13 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' LEU . 14.4 mt -89.35 -165.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.1 m -151.71 156.13 39.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.812 HD23 ' CD1' ' A' ' 48' ' ' LEU . 22.1 mt -71.15 -23.38 62.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -103.9 36.09 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -134.69 -46.97 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.54 ' HB ' HD11 ' A' ' 85' ' ' LEU . 10.1 m -89.03 145.12 7.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.544 HG13 ' HB3' ' A' ' 68' ' ' PRO . 47.1 t -117.51 114.56 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.518 ' HG ' HD23 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -93.38 140.72 29.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.42 ' HB3' ' HA ' ' A' ' 68' ' ' PRO . 7.0 p80 -177.7 117.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.48 ' HG3' HD23 ' A' ' 83' ' ' LEU . 2.7 mtp180 -53.08 162.88 0.97 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 88.71 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.9 48.17 0.37 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -114.07 -176.08 2.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 0.767 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -104.92 -68.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -108.88 161.09 24.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.544 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -75.01 139.08 23.83 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.9 mtt -47.57 156.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.45 ' C ' ' N ' ' A' ' 72' ' ' GLU . 45.0 m-20 -110.75 19.42 18.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.433 ' CB ' ' HB3' ' A' ' 41' ' ' GLN . 7.2 mt 40.27 29.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' N ' ' C ' ' A' ' 70' ' ' ASP . 2.1 mm-40 -102.2 -22.99 14.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -83.55 151.54 62.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.3 Cg_endo -74.99 135.58 19.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.839 ' HA ' HG22 ' A' ' 78' ' ' VAL . 11.7 m -46.51 -25.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 74' ' ' PRO . 54.8 p -51.52 -28.76 14.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.85 -29.38 32.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.955 ' HB ' HD11 ' A' ' 83' ' ' LEU . 19.6 m -106.33 51.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.782 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -134.08 70.7 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 t -176.2 -68.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -82.61 170.08 15.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -86.27 131.53 34.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.955 HD11 ' HB ' ' A' ' 78' ' ' VAL . 73.8 mt -94.1 159.04 15.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.435 HG13 ' CG2' ' A' ' 24' ' ' VAL . 69.5 t -122.43 129.78 75.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.781 HD13 ' N ' ' A' ' 86' ' ' ASP . 1.7 tm? -115.27 144.5 43.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.781 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -129.82 86.96 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.348 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.8 p -56.66 157.64 9.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 110.408 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 166.25 29.56 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.788 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 162.73 36.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 t0 48.15 93.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -161.75 142.15 10.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.84 146.01 27.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -167.17 -53.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.9 t -168.8 -57.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.06 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -176.03 162.78 2.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.5 -61.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? 42.54 87.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.6 t -146.33 157.76 43.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.03 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.42 147.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.06 -85.23 1.79 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.77 8.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -168.67 168.95 10.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.954 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.8 p -53.03 167.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.99 129.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 110.034 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -165.48 170.73 14.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 110.047 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.49 -156.78 7.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -173.36 149.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.0 p -168.12 164.56 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.68 -141.46 5.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.27 168.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -51.32 165.43 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -130.05 117.63 20.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.2 t -127.95 -65.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' GLU . 43.9 mmt-85 -62.32 -49.5 75.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 14' ' ' GLU . 0.3 OUTLIER 64.52 -78.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 3.8 tt0 83.1 -50.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -40.51 159.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.32 132.01 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.677 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.8 pp -101.15 148.91 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 32' ' ' ILE . 6.9 m -127.43 157.67 39.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 47.7 p90 -154.84 163.27 40.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -101.3 154.13 19.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -127.59 146.89 50.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -105.02 111.27 23.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 mt -80.57 76.76 7.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.506 ' CG2' HG13 ' A' ' 84' ' ' VAL . 80.5 t -54.02 114.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.13 -40.45 2.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.01 -27.18 30.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 67.97 71.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.43 ' CB ' ' CZ ' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -173.07 160.52 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.4 t -116.37 124.65 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.9 OUTLIER -109.94 163.3 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -118.96 147.4 44.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.593 ' O ' HG23 ' A' ' 18' ' ' THR . 10.1 mt -132.53 136.1 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -122.31 133.77 54.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.038 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -175.88 156.3 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -52.19 151.73 6.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.711 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -75.05 -58.75 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' PRO . 8.3 p -38.45 -49.69 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.391 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.468 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.4 mttm -44.56 164.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.3 mtm180 -91.86 179.31 5.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.887 HD11 HG11 ' A' ' 78' ' ' VAL . 1.2 mt -77.31 -25.85 51.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.48 ' HB2' HD22 ' A' ' 55' ' ' LEU . 12.2 pt20 -85.61 -41.03 15.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.6 mm-40 -71.88 -25.41 61.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.63 -25.68 24.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.99 -15.32 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.536 ' HG2' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -54.0 -49.88 87.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -74.98 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 47' ' ' ILE . 14.9 mm -100.53 -46.28 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 53' ' ' LEU . 15.7 mt -67.82 -37.66 82.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.16 -33.56 74.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 1.06 55.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 29.0 m80 -125.45 8.13 7.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.592 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.52 19.73 42.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' LEU . 66.5 mt -93.59 -168.95 2.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.37 163.71 38.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.536 HD11 ' HG2' ' A' ' 45' ' ' GLN . 5.7 mt -82.01 -21.48 37.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -101.55 16.74 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -118.18 -57.87 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.651 ' HB ' HD11 ' A' ' 85' ' ' LEU . 6.1 m -82.4 151.4 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.493 HG13 ' HB3' ' A' ' 68' ' ' PRO . 72.9 t -122.68 114.29 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.745 HD13 ' C ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -95.24 137.29 34.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.511 ' H ' HD22 ' A' ' 60' ' ' LEU . 5.9 p80 -176.01 123.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.4 mtt-85 -41.65 158.54 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.734 ' HB3' HG21 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.04 106.25 2.24 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.521 1.801 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.65 -53.65 0.8 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -50.01 164.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 0.807 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.33 -69.39 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.473 ' CG ' ' HD2' ' A' ' 68' ' ' PRO . 0.2 OUTLIER -56.35 149.76 36.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.493 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.1 Cg_endo -75.02 127.95 11.08 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.496 1.788 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.481 ' HB2' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -66.56 97.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -40.24 149.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 mt -97.89 22.77 8.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -85.77 -19.9 30.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -83.76 152.06 62.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 18.4 Cg_endo -74.99 137.97 22.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.711 HG23 ' HA ' ' A' ' 36' ' ' PRO . 9.6 m -47.36 -26.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.5 p -46.18 -33.09 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -40.59 60.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.887 HG11 HD11 ' A' ' 40' ' ' LEU . 3.4 m -89.01 44.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.677 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -127.69 77.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.0 t -178.53 -55.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -106.43 176.44 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.3 m -91.29 137.75 32.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.817 HD11 ' HB ' ' A' ' 78' ' ' VAL . 83.1 mt -94.11 175.16 6.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.734 HG21 ' HB3' ' A' ' 63' ' ' PRO . 93.4 t -132.5 130.4 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.839 HD13 ' N ' ' A' ' 86' ' ' ASP . 1.4 tm? -110.74 141.8 43.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.839 ' N ' HD13 ' A' ' 85' ' ' LEU . 10.8 t0 -129.17 89.27 2.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.4 p -61.2 157.4 43.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.388 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.78 15.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -54.66 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -94.21 102.84 14.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -169.89 131.27 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.66 -66.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.21 170.32 15.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.89 -57.6 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.059 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -178.89 87.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -175.5 -179.39 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.81 -59.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.61 102.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.7 p -59.05 93.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.35 157.33 28.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.78 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.787 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.3 159.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.26 -58.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.76 168.98 21.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 110.005 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -178.32 142.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.95 156.83 8.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -177.96 145.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.79 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.15 170.38 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.72 161.81 9.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -173.36 126.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -158.23 172.62 18.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.14 80.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.0 m -118.02 165.16 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.96 130.67 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 tp -174.39 165.55 3.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -158.53 90.64 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -154.59 120.99 5.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -39.33 127.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.633 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.9 pp -105.78 158.95 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 32' ' ' ILE . 16.0 m -134.28 159.63 40.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 51.1 p90 -154.7 163.19 40.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -102.27 160.02 14.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -137.33 150.77 47.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -107.84 120.94 43.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -91.45 74.07 6.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.518 ' CG2' HG13 ' A' ' 84' ' ' VAL . 14.7 t -50.14 131.04 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.88 -33.02 6.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.05 -29.04 16.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 64.02 75.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -177.3 135.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t -92.25 139.44 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -124.6 167.95 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -126.9 141.75 51.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.574 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 6.7 mt -128.58 131.47 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.9 p -119.32 137.03 53.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.031 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.73 158.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -54.26 152.24 11.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.725 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.97 -58.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.517 1.799 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 36' ' ' PRO . 17.1 p -37.79 -53.77 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 2.0 mttt -42.83 163.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -89.04 -176.1 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.574 HD11 HG11 ' A' ' 78' ' ' VAL . 1.1 mt -83.45 -27.06 29.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.508 ' HB2' HD22 ' A' ' 55' ' ' LEU . 8.4 pt20 -84.51 -36.35 22.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.9 mm-40 -74.83 -27.1 60.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.05 -24.66 28.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -92.97 -12.95 29.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.526 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.54 -50.38 88.11 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.98 -3.25 13.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 17.8 mm -100.71 -45.23 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 53' ' ' LEU . 6.0 mt -69.8 -34.52 73.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.31 -36.84 79.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.79 -1.01 57.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 24.0 m80 -120.8 5.47 10.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.591 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.46 19.18 46.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.445 1.09 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' LEU . 30.0 mt -91.73 -165.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.3 m -156.68 163.22 39.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.508 HD22 ' HB2' ' A' ' 41' ' ' GLN . 12.0 mt -80.58 -21.03 42.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.61 32.29 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -134.44 -46.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 m -92.53 161.34 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.449 HG13 ' HB3' ' A' ' 68' ' ' PRO . 38.7 t -132.01 113.48 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 61' ' ' HIS . 1.3 tm? -88.7 139.01 30.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.833 ' N ' HD13 ' A' ' 60' ' ' LEU . 17.3 p80 -172.91 128.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.56 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.535 ' HG3' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -63.09 165.09 11.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.507 ' HB3' HG21 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.93 102.33 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.537 1.809 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.99 -52.06 0.84 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -39.53 147.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -71.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.78 161.73 72.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.449 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -74.98 131.05 13.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.413 ' HE2' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -53.64 159.89 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.94 122.25 42.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.2 mt -65.31 -24.59 67.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -50.72 -28.13 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -71.46 148.05 93.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 140.31 25.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.889 ' HA ' HG22 ' A' ' 78' ' ' VAL . 16.8 m -55.35 -19.77 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -58.92 -18.73 36.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.951 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.2 -13.59 24.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.889 HG22 ' HA ' ' A' ' 75' ' ' VAL . 13.4 m -120.95 46.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -107.2 33.52 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -155.26 -176.45 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.028 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' SER . 45.4 mt-30 41.65 -163.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.2 m -129.05 126.83 40.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.447 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.535 HD23 ' HG3' ' A' ' 62' ' ' ARG . 4.9 mt -84.19 164.46 19.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.518 HG13 ' CG2' ' A' ' 24' ' ' VAL . 58.7 t -125.06 113.22 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.649 HD13 ' N ' ' A' ' 86' ' ' ASP . 3.4 tm? -97.24 137.49 36.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.649 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -121.5 90.36 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 37.9 p -57.68 158.35 12.08 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.386 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.08 43.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 56.09 4.15 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.476 1.777 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 168.2 102.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -166.07 102.83 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -108.75 103.73 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -154.08 99.31 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 t -175.91 -60.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.06 -60.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -168.55 172.09 8.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -156.38 101.68 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -54.38 118.05 3.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 100' ' ' GLY . 13.5 t -175.78 105.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 99' ' ' SER . . . -37.58 98.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.47 33.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.483 1.781 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 m -149.65 121.2 7.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.6 p -99.21 -58.28 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t 63.36 151.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 110.052 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.89 169.13 16.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.027 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.87 -168.61 21.19 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -159.05 162.24 36.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 110.028 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.49 160.93 40.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.39 168.18 12.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.08 157.56 46.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -106.89 165.46 11.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -131.19 82.12 2.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 12' ' ' ARG . 77.1 t -78.42 -96.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' N ' HG12 ' A' ' 11' ' ' VAL . 3.2 mmt85 38.91 82.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 mt 54.24 78.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.16 128.65 36.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -122.43 164.92 17.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.89 130.1 39.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 1.019 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.7 pp -101.92 153.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 32' ' ' ILE . 6.1 m -128.46 156.65 42.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.379 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 48.7 p90 -154.19 162.05 41.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.418 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -101.11 163.95 12.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -139.27 143.87 38.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' OE1' HG22 ' A' ' 84' ' ' VAL . 1.2 tt0 -101.23 114.01 27.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mt -85.45 69.67 10.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.518 HG23 HG13 ' A' ' 84' ' ' VAL . 93.2 t -40.6 148.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.93 -30.81 5.61 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.617 ' O ' HD12 ' A' ' 26' ' ' LEU . 8.2 tp -118.78 1.18 11.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 38.87 48.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -115.76 133.52 55.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.3 t -100.17 124.27 53.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.9 OUTLIER -117.38 162.08 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.418 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -120.89 140.3 52.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.578 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 10.1 mt -126.23 137.44 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.2 p -121.92 136.28 54.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.54 164.09 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -61.96 152.91 75.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.725 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.99 -55.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.427 1.751 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' PRO . 27.8 p -38.32 -54.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.484 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -45.03 166.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -92.32 -175.42 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.692 HD11 HG11 ' A' ' 78' ' ' VAL . 1.3 mt -83.0 -26.65 31.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.514 ' HB2' HD22 ' A' ' 55' ' ' LEU . 7.5 pt20 -83.78 -39.16 20.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.484 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.4 mm-40 -73.42 -25.85 60.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.34 -25.04 29.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -92.86 -15.76 26.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.529 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -52.96 -50.16 83.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.03 -3.08 13.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.777 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 47' ' ' ILE . 15.1 mm -100.08 -47.92 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 54' ' ' SER . 14.9 mt -62.58 -49.61 74.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.88 75.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -11.7 59.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 44.2 m80 -115.66 7.09 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.594 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 64.24 14.04 55.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' LEU . 14.1 mt -91.89 -163.91 1.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.76 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.596 ' C ' HD13 ' A' ' 48' ' ' LEU . 69.4 m -154.48 175.33 13.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.941 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 41' ' ' GLN . 23.4 mt -86.55 -23.75 25.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -102.1 30.25 4.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -131.42 -53.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.839 ' HB ' HD21 ' A' ' 85' ' ' LEU . 11.1 m -87.34 137.25 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 89.8 t -109.45 121.89 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.578 HD13 ' N ' ' A' ' 61' ' ' HIS . 2.1 tm? -98.15 139.6 33.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.578 ' N ' HD13 ' A' ' 60' ' ' LEU . 1.1 p80 -177.6 121.79 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 109.637 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -52.29 161.31 1.06 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.504 ' HB3' HG21 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.01 105.71 2.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.778 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.43 -54.25 0.76 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -45.75 160.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 0.801 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.78 -69.41 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.32 162.8 67.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.467 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.01 132.95 15.98 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.778 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.434 ' HE2' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -53.43 -176.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -116.99 132.48 56.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.454 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 2.9 mt -83.4 -41.13 18.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -41.29 -28.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 71' ' ' LEU . 67.3 m-20 -67.12 152.24 96.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 139.58 24.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.816 ' HA ' HG22 ' A' ' 78' ' ' VAL . 10.9 m -58.73 -23.05 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.59 -25.47 17.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.5 -33.08 23.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.958 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.816 HG22 ' HA ' ' A' ' 75' ' ' VAL . 29.7 m -100.54 42.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.019 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -126.65 66.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.92 -52.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -101.83 177.72 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -94.23 142.3 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.531 HD11 ' HB ' ' A' ' 78' ' ' VAL . 9.2 mt -105.74 168.99 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.518 HG13 HG23 ' A' ' 24' ' ' VAL . 89.3 t -127.56 129.18 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.839 HD21 ' HB ' ' A' ' 58' ' ' VAL . 3.4 tm? -108.68 139.78 43.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.656 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -124.1 95.49 4.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.6 p -64.64 157.66 72.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.373 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 154.96 43.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.86 4.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.4 t0 175.39 91.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.65 -64.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.25 -63.99 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.05 169.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 m -124.0 150.98 44.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -38.98 105.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -99.22 173.92 6.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.62 87.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -112.72 154.88 25.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.27 164.51 13.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.11 119.77 0.88 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.093 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.17 27.63 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.4 p -99.22 179.06 4.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.044 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.5 p -134.07 163.98 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -168.67 170.04 9.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -165.98 170.3 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.34 -171.35 15.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -159.72 170.47 21.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.96 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.5 p -160.2 160.3 32.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.005 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.75 164.36 13.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.6 -50.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.766 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 59.23 163.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -128.59 141.88 51.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.3 t -136.74 -51.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.16 -41.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 58.05 89.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -99.56 71.16 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -153.37 162.03 41.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.86 125.31 3.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.733 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.5 pp -102.37 158.15 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 32' ' ' ILE . 10.2 m -137.91 158.36 44.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 46.2 p90 -154.49 165.69 35.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.465 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 26.2 mt-30 -101.18 152.67 20.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.641 HD12 HD11 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -126.51 141.08 52.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -98.13 110.85 23.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' LEU . 4.9 mt -81.9 70.26 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.546 ' CG2' HG13 ' A' ' 84' ' ' VAL . 40.2 t -39.83 -69.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.36 -32.25 1.74 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -103.68 -157.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -148.48 72.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -178.22 132.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.9 t -81.42 118.39 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.409 HG13 HD12 ' A' ' 23' ' ' LEU . 3.6 m -101.33 155.63 4.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.465 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 15.3 tpp85 -113.88 150.1 34.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 18' ' ' THR . 8.4 mt -132.75 132.1 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.7 p -120.9 131.04 54.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.46 153.65 2.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.11 151.75 2.25 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.732 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -75.03 -59.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' PRO . 6.6 p -37.7 -50.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -44.97 161.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -87.15 179.43 6.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.909 HD11 HG11 ' A' ' 78' ' ' VAL . 1.2 mt -78.99 -29.05 43.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.457 ' HB2' HD22 ' A' ' 55' ' ' LEU . 13.0 pt20 -83.63 -34.04 25.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 42.1 mm-40 -76.59 -25.25 53.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.93 -23.78 25.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -94.62 -17.82 21.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.529 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -52.19 -50.16 80.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.01 -3.19 13.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 20.8 mm -100.24 -43.38 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 53' ' ' LEU . 11.8 mt -71.09 -35.74 71.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.84 -24.6 63.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -16.07 22.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 51.1 m80 -109.32 7.14 25.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.629 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.66 28.28 59.82 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.454 HD13 HG11 ' A' ' 58' ' ' VAL . 42.6 mt -101.1 -170.42 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.04 156.21 41.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.457 HD22 ' HB2' ' A' ' 41' ' ' GLN . 11.5 mt -71.46 -29.53 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.27 7.67 44.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -106.13 -60.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.591 ' HB ' HD11 ' A' ' 85' ' ' LEU . 5.6 m -83.9 141.85 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.4 t -108.98 119.73 59.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.652 HD13 ' H ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -89.97 138.01 31.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.652 ' H ' HD13 ' A' ' 60' ' ' LEU . 3.7 p80 -176.19 137.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.56 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -66.35 165.1 25.4 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 106.98 2.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.93 -40.04 1.97 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -63.51 141.86 58.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.76 -22.35 17.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.475 ' CG ' ' HD2' ' A' ' 68' ' ' PRO . 5.8 tt0 -96.76 141.63 23.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 67' ' ' GLN . 18.3 Cg_endo -74.97 126.47 10.01 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.1 mtp -63.27 139.85 58.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.25 123.25 24.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.456 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.3 mt -68.86 -25.66 64.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -52.87 -21.06 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -75.67 151.81 84.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 142.94 28.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.862 ' HA ' HG22 ' A' ' 78' ' ' VAL . 13.0 m -62.09 -15.23 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 t -58.97 -29.94 67.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.93 -31.18 27.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.909 HG11 HD11 ' A' ' 40' ' ' LEU . 3.5 m -97.24 40.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.689 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -125.84 59.99 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.71 -59.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -98.35 173.78 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -89.92 139.55 30.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -100.37 168.89 9.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.546 HG13 ' CG2' ' A' ' 24' ' ' VAL . 92.9 t -128.31 123.38 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.719 HD13 ' N ' ' A' ' 86' ' ' ASP . 2.1 tm? -94.92 139.74 30.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.719 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -125.93 94.31 4.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.268 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.9 p -66.92 157.42 84.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.374 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.41 38.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 57.75 4.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.81 -52.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.59 62.57 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.54 175.57 11.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.8 ttt -46.9 -59.2 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 67.87 153.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 110.045 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -152.1 142.56 22.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.77 148.51 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 179.51 154.66 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.17 -56.14 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 75.55 -60.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.39 97.29 0.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 176.11 10.35 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.5 1.789 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.63 166.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.053 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.9 t -174.29 101.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p -158.94 166.72 31.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.973 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.4 p -164.08 142.62 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.027 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.0 -151.33 23.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.97 157.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 110.031 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -164.64 167.57 19.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.27 -139.51 11.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.69 160.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 60.78 164.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -131.17 154.87 47.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.463 HG23 ' CD ' ' A' ' 12' ' ' ARG . 15.2 m -70.59 167.6 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' CD ' HG23 ' A' ' 11' ' ' VAL . 4.6 mtp180 60.94 104.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.19 79.64 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 78.06 -62.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.253 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 169.15 164.32 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 -47.47 129.78 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.746 HD11 ' HB ' ' A' ' 75' ' ' VAL . 1.7 pp -102.14 157.87 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 32' ' ' ILE . 7.5 m -137.16 158.27 44.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 41.2 p90 -155.24 166.45 33.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 16.9 mt-30 -101.21 157.32 16.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.809 HD12 HD11 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -130.89 137.36 49.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -96.64 115.03 26.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' VAL . 5.8 mt -83.3 70.12 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.542 ' CG2' HG13 ' A' ' 84' ' ' VAL . 94.8 t -39.63 108.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.89 11.06 9.46 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.453 1.096 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.93 159.8 41.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -105.68 64.09 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.8 128.69 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 74.8 t -98.99 103.51 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 m -80.32 151.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 3.0 tpp85 -114.41 151.05 33.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.246 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.809 HD11 HD12 ' A' ' 21' ' ' LEU . 10.8 mt -132.31 133.16 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.7 p -122.81 135.04 54.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.68 161.46 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.26 153.86 24.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.737 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.95 -54.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.1 p -38.63 -56.05 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.2 mttm -43.34 164.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 74' ' ' PRO . 9.9 mtt-85 -92.44 -174.82 3.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.723 HD11 HG11 ' A' ' 78' ' ' VAL . 1.8 mt -82.97 -22.42 33.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.505 ' HB2' HD22 ' A' ' 55' ' ' LEU . 17.9 pt20 -88.99 -35.72 16.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.431 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 14.7 mm-40 -77.92 -26.85 49.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.94 -25.14 32.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -92.15 -15.44 27.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.528 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.92 -50.09 80.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.5 Cg_endo -74.98 -3.06 13.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 47' ' ' ILE . 13.6 mm -100.42 -48.0 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.369 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 54' ' ' SER . 11.4 mt -63.03 -45.01 94.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.53 -30.75 71.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -87.5 -0.58 57.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 46.0 m80 -127.11 5.52 6.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.582 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 64.54 16.3 60.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.572 1.17 . . . . 0.0 110.976 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.4 mt -94.79 -167.76 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 0.794 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.572 ' C ' HD13 ' A' ' 48' ' ' LEU . 74.5 m -152.21 179.05 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 41' ' ' GLN . 13.3 mt -89.86 -16.32 30.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.48 15.26 25.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -117.7 -43.97 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.611 ' HB ' HD21 ' A' ' 85' ' ' LEU . 3.0 m -102.54 150.47 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 76.5 t -121.43 124.94 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.772 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.9 OUTLIER -94.45 139.13 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.283 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.772 ' N ' HD13 ' A' ' 60' ' ' LEU . 4.0 p80 -175.82 148.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.582 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.834 ' HG2' HD23 ' A' ' 83' ' ' LEU . 9.2 mtt180 -78.04 158.49 77.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 101.52 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.17 -43.03 1.31 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -48.94 145.69 3.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 0.819 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -71.23 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -83.18 161.26 57.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.277 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.472 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.02 136.25 20.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.44 154.61 27.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -92.93 118.01 30.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 2.2 mt -55.95 -26.33 47.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -23.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -73.84 146.39 85.31 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 18.4 Cg_endo -74.94 138.97 23.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.793 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.813 ' HA ' HG22 ' A' ' 78' ' ' VAL . 16.8 m -56.53 -18.6 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -22.87 64.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.23 -16.63 27.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.813 HG22 ' HA ' ' A' ' 75' ' ' VAL . 2.9 m -112.51 34.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.54 25.21 4.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.5 p -152.52 145.28 24.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.959 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 74.53 178.08 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.5 m -110.41 126.22 54.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 110.396 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.834 HD23 ' HG2' ' A' ' 62' ' ' ARG . 15.5 mt -84.15 174.68 10.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.542 HG13 ' CG2' ' A' ' 24' ' ' VAL . 86.4 t -126.97 137.12 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.611 HD21 ' HB ' ' A' ' 58' ' ' VAL . 2.7 tm? -110.4 138.97 46.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.419 ' N ' HD13 ' A' ' 85' ' ' LEU . 18.8 t0 -125.49 95.21 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.404 ' CG2' ' CD1' ' A' ' 85' ' ' LEU . 79.5 p -72.03 157.36 89.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 162.51 37.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 111.024 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.96 160.72 39.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 89' ' ' PRO . 0.2 OUTLIER 44.99 92.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.11 74.68 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.9 mttt 48.51 68.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.6 mtt -72.9 -56.31 5.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.6 t 43.67 75.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.953 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.38 84.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.18 144.53 40.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 177.83 89.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 m 49.09 96.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.32 -58.42 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.57 159.28 0.24 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.53 24.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.2 t -145.41 120.57 10.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.958 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.7 t 58.7 161.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.026 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.05 114.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.1 146.82 20.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.87 100.85 1.1 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.49 -56.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.71 156.88 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.98 128.93 4.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.62 -166.3 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -97.29 38.56 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 50.83 -167.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 12' ' ' ARG . 47.1 t -143.33 163.42 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.456 ' N ' HG12 ' A' ' 11' ' ' VAL . 33.7 mtp180 55.63 166.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mt -154.1 143.49 21.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 59.68 98.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 173.65 175.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.0 128.21 20.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 1.006 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.8 pp -107.79 151.18 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.48 HG23 ' HB3' ' A' ' 33' ' ' SER . 3.0 m -128.55 153.05 47.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 46.8 p90 -153.31 163.94 39.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -101.03 163.23 12.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -137.81 147.54 44.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -102.87 119.87 39.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -92.39 74.81 5.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.417 ' CG2' HG13 ' A' ' 84' ' ' VAL . 66.5 t -55.17 105.12 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.4 -77.59 0.22 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.88 HD21 ' CD ' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -71.12 -29.82 65.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.79 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 1.5 mt-10 84.32 94.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.88 ' CD ' HD21 ' A' ' 26' ' ' LEU . 13.0 ptm180 179.79 167.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.7 t -121.51 131.27 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 1.0 OUTLIER -116.01 162.38 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HD3' HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -120.44 142.35 49.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.585 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 8.8 mt -128.09 133.2 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.48 ' HB3' HG23 ' A' ' 18' ' ' THR . 70.8 p -122.05 134.7 54.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.53 155.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.25 151.73 2.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.722 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.0 Cg_endo -75.08 -59.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . 79.3 p -37.84 -53.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -41.08 155.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.411 ' NH1' ' HD3' ' A' ' 74' ' ' PRO . 1.2 mmp_? -78.69 -175.9 4.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.979 HD21 HG21 ' A' ' 78' ' ' VAL . 2.0 mt -84.68 -26.55 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.612 ' HB2' HD22 ' A' ' 55' ' ' LEU . 1.9 pt20 -84.8 -38.71 19.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.451 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 14.9 mm-40 -71.68 -24.45 61.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.68 -25.6 24.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.29 -16.42 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.531 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -52.8 -50.2 82.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -74.97 -3.31 13.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.426 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 16.0 mm -100.23 -42.83 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' LEU . 8.1 mt -72.79 -26.15 61.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.78 -33.66 60.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 1.49 57.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 28.7 m80 -123.58 4.47 8.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.606 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.13 25.18 56.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' LEU . 80.9 mt -97.4 -168.52 1.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.66 174.81 11.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.039 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 41' ' ' GLN . 7.0 mt -94.88 -13.54 25.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.67 7.18 18.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.24 -47.0 4.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.434 ' HB ' HD21 ' A' ' 85' ' ' LEU . 6.9 m -89.12 171.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 68' ' ' PRO . 46.7 t -141.44 123.47 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.708 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -102.13 139.41 37.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.708 ' N ' HD13 ' A' ' 60' ' ' LEU . 15.2 p80 -172.84 117.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.576 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -48.49 155.45 0.97 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 94.15 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 147.53 -42.79 0.87 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -60.02 168.93 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.309 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -101.97 -74.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -69.09 160.71 77.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.422 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 142.0 27.31 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.496 ' SD ' HD13 ' A' ' 40' ' ' LEU . 2.1 ptp -71.39 177.28 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -110.49 143.11 41.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.24 1.62 54.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -76.57 -2.98 35.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -98.31 152.86 38.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.411 ' HD3' ' NH1' ' A' ' 39' ' ' ARG . 18.3 Cg_endo -74.97 139.97 24.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.722 HG23 ' HA ' ' A' ' 36' ' ' PRO . 6.3 m -53.01 -21.63 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.5 p -52.89 -23.05 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.984 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.45 -39.86 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.979 HG21 HD21 ' A' ' 40' ' ' LEU . 16.1 m -91.99 36.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.006 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -123.03 58.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.5 t -161.35 -54.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -101.79 179.04 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -92.99 136.08 33.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.421 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.909 HD11 ' HB ' ' A' ' 78' ' ' VAL . 28.5 mt -96.19 163.24 13.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.417 HG13 ' CG2' ' A' ' 24' ' ' VAL . 73.8 t -127.13 119.24 52.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.71 HD13 ' N ' ' A' ' 86' ' ' ASP . 2.6 tm? -103.5 138.2 40.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.71 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -125.42 90.52 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 42.6 p -57.78 158.95 10.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 18.2 Cg_endo -75.01 153.85 42.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.488 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.98 55.87 4.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 89' ' ' PRO . 0.4 OUTLIER 157.09 89.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.11 121.84 32.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.37 122.44 1.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.57 149.82 27.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.72 -57.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.62 143.41 50.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -169.17 -177.32 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 67.17 152.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -128.79 -59.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.9 t -175.06 160.68 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -139.19 67.7 0.51 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 83.58 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.471 1.774 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.4 t -163.77 145.92 9.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.037 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.35 118.44 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.7 129.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 109.984 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.62 152.91 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.952 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.06 118.34 1.46 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 p -151.9 119.42 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.992 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.04 148.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.967 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.49 -108.78 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.13 142.23 0.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -159.29 173.6 16.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.78 140.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.1 m -128.43 -45.86 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -143.7 98.47 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.43 130.76 28.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.19 122.79 18.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -178.56 -55.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.65 125.17 2.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.78 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.5 pp -105.09 152.29 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 m -130.06 156.03 45.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 49.9 p90 -154.82 166.07 34.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -101.15 161.8 13.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.47 HD12 HD11 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -134.9 135.61 41.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -97.72 108.52 21.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.438 HD13 ' HD3' ' A' ' 28' ' ' ARG . 10.7 mt -82.64 80.63 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.501 ' CG2' HG13 ' A' ' 84' ' ' VAL . 20.6 t -64.01 126.04 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.3 33.18 2.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.958 HD21 ' CD ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -173.24 -40.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.754 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 1.2 tp10 86.86 90.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.958 ' CD ' HD21 ' A' ' 26' ' ' LEU . 10.0 ptm180 179.68 165.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.8 t -128.65 138.05 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.7 m -125.23 159.15 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 32' ' ' ILE . 23.7 ttp180 -114.81 144.32 43.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.583 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 7.0 mt -130.83 129.7 63.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.5 p -119.59 134.59 55.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.42 154.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -48.97 151.02 2.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.68 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.96 -58.86 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.543 1.812 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' PRO . 22.3 p -38.28 -48.05 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.476 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -47.53 167.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -93.31 -172.74 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.079 HD11 HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -86.59 -23.68 25.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -85.61 -39.53 17.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.6 mm-40 -75.82 -21.9 56.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.9 -24.1 22.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.84 -18.14 19.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.557 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -53.89 -48.3 94.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.95 -4.59 15.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 18.6 mm -101.03 -49.67 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' LEU . 31.0 mt -68.29 -31.43 70.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.14 -28.12 63.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -96.39 1.02 51.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 28.6 m80 -121.03 8.79 10.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.556 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.78 17.54 54.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' LEU . 39.2 mt -94.53 -173.48 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.4 m -150.58 165.56 32.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.529 HD11 ' HG2' ' A' ' 45' ' ' GLN . 13.7 mt -81.55 -16.63 51.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.91 31.32 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -139.42 -62.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.579 ' HB ' HD21 ' A' ' 85' ' ' LEU . 14.7 m -66.73 149.61 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.432 HG13 ' HB3' ' A' ' 68' ' ' PRO . 22.0 t -126.76 105.29 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.617 HD11 ' HB3' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -87.32 139.79 30.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.542 ' H ' HD13 ' A' ' 60' ' ' LEU . 17.2 p80 -174.12 115.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.57 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.458 ' HG3' ' CD2' ' A' ' 83' ' ' LEU . 3.3 mtt180 -47.35 158.55 0.47 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.533 ' HB3' HG21 ' A' ' 84' ' ' VAL . 18.2 Cg_endo -75.07 98.42 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.535 1.808 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.9 37.96 0.63 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.15 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 54.4 mm-40 -125.04 -46.64 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 87.58 -55.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -82.36 160.09 63.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.98 135.93 19.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.06 167.52 21.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.5 118.85 34.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.54 -27.83 67.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -49.02 -23.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -71.14 148.22 93.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 18.4 Cg_endo -75.02 133.21 16.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.837 ' HA ' HG22 ' A' ' 78' ' ' VAL . 5.4 m -46.88 -25.92 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' PRO . 3.9 t -47.04 -27.9 1.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.991 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.5 -40.32 23.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.079 HG11 HD11 ' A' ' 40' ' ' LEU . 12.2 m -90.91 39.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -124.96 45.66 2.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.9 t -151.15 -62.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.984 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -94.25 158.47 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.3 m -74.41 131.14 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.769 HD11 ' HB ' ' A' ' 78' ' ' VAL . 32.1 mt -84.77 169.91 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.533 HG21 ' HB3' ' A' ' 63' ' ' PRO . 74.9 t -135.22 122.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 86' ' ' ASP . 0.6 OUTLIER -107.52 132.26 53.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.603 ' N ' HD23 ' A' ' 85' ' ' LEU . 7.6 t0 -111.87 61.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.408 ' CG2' HD22 ' A' ' 85' ' ' LEU . 70.8 p -45.6 156.6 0.41 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 173.32 14.72 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.2 27.66 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.34 97.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -178.34 86.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -118.42 -67.88 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.234 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 60.36 93.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.0 p -179.53 166.18 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -40.12 159.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.02 144.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -178.62 83.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.6 t 57.86 88.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.934 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.1 p -58.54 144.77 41.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -144.91 152.37 24.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 165.11 32.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.2 t -166.62 131.07 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.25 140.35 23.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -171.03 164.48 7.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.781 . . . . 0.0 110.023 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p -166.28 163.02 17.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.28 -154.61 6.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.4 164.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 0.732 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.4 164.34 37.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.137 . . . . 0.0 110.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.88 155.21 26.46 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -154.72 166.75 32.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.78 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 173.92 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.24 84.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.7 t -128.6 -64.18 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.85 152.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.63 121.51 9.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.93 114.2 8.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -137.76 82.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.02 129.84 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.862 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.5 pp -95.3 151.57 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 2.6 m -128.98 153.42 47.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.441 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 47.0 p90 -150.98 164.33 36.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.467 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 30.7 mt-30 -100.92 157.56 16.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.507 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -129.9 139.94 51.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.529 ' HB3' HG13 ' A' ' 84' ' ' VAL . 1.8 tt0 -98.21 115.07 27.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mt -88.45 68.33 8.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.525 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 83.9 t -39.69 133.32 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.6 -13.59 63.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.515 HD22 ' HE ' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -119.98 -164.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 pm0 -143.11 64.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.515 ' HE ' HD22 ' A' ' 26' ' ' LEU . 4.6 ptp180 -161.57 130.24 4.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 91.4 t -96.28 94.95 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 m -71.52 147.92 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.431 ' HD3' ' CG ' ' A' ' 20' ' ' GLN . 8.9 tpp85 -113.94 149.09 35.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.587 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.5 mt -132.9 138.8 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.444 ' CA ' HG23 ' A' ' 18' ' ' THR . 0.3 OUTLIER -128.75 128.55 44.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.29 153.5 5.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.96 151.46 0.88 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.678 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -75.08 -58.75 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.473 1.776 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.4 p -38.89 -49.6 1.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.407 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 2.1 mttt -45.31 166.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -92.99 -174.93 3.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.922 HD11 HG11 ' A' ' 78' ' ' VAL . 1.6 mt -84.54 -23.81 29.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.431 ' HB2' HD22 ' A' ' 55' ' ' LEU . 2.9 pt20 -86.47 -41.98 13.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.444 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 58.1 mm-40 -72.53 -23.3 60.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.22 -23.89 26.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.63 -15.65 21.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.535 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -52.2 -49.82 82.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.97 -3.3 13.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 47' ' ' ILE . 13.4 mm -100.68 -46.03 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.703 HD21 HG21 ' A' ' 58' ' ' VAL . 10.7 mt -68.66 -29.55 68.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.43 60.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.43 -4.35 57.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 44.8 m80 -119.02 6.19 11.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.68 19.54 49.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.562 1.164 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.7 mt -92.6 -166.18 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.3 m -148.32 172.9 13.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.431 HD22 ' HB2' ' A' ' 41' ' ' GLN . 25.3 mt -85.96 -23.45 26.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.49 28.24 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -129.82 -64.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.703 HG21 HD21 ' A' ' 48' ' ' LEU . 24.0 m -68.73 127.65 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.439 HG13 ' HB3' ' A' ' 68' ' ' PRO . 58.9 t -103.55 104.92 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -87.11 138.25 31.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.606 ' H ' HD13 ' A' ' 60' ' ' LEU . 2.3 p80 -176.97 136.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.628 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -63.79 158.29 61.89 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.666 ' HB3' HG21 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.0 111.88 3.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.771 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.71 -46.01 1.11 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -49.11 162.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.737 . . . . 0.0 110.232 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -95.5 -70.25 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.465 ' CG ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -75.98 162.15 72.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 67' ' ' GLN . 18.2 Cg_endo -75.06 135.06 18.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.83 166.83 4.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.32 133.61 45.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.09 -24.68 58.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -51.53 -24.01 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.46 148.01 90.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.69 20.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.459 1.768 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.861 ' HA ' HG22 ' A' ' 78' ' ' VAL . 7.0 m -51.29 -24.65 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.4 t -49.58 -33.67 15.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.23 -37.5 53.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.939 ' HB ' HD11 ' A' ' 83' ' ' LEU . 14.1 m -96.07 48.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.862 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -132.43 51.04 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.6 t -154.94 -56.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.06 177.25 6.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -96.65 123.52 40.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.939 HD11 ' HB ' ' A' ' 78' ' ' VAL . 45.8 mt -83.79 159.76 21.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.666 HG21 ' HB3' ' A' ' 63' ' ' PRO . 39.0 t -122.41 125.73 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.672 HD13 HG22 ' A' ' 87' ' ' THR . 0.0 OUTLIER -106.9 124.23 49.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.351 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' N ' ' CD2' ' A' ' 85' ' ' LEU . 1.3 t70 -101.3 60.69 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.672 HG22 HD13 ' A' ' 85' ' ' LEU . 68.7 p -41.62 155.88 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 171.1 18.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.426 1.75 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.47 3.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -99.16 88.68 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -173.17 166.61 4.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 81.11 -63.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.17 110.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.65 172.21 18.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.04 113.18 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -122.06 -175.28 3.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.44 165.15 26.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.5 p -39.88 118.66 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.979 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.85 160.53 43.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -66.4 113.31 5.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 175.75 10.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.0 t -97.3 -61.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.7 t 66.1 140.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.54 149.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 0.79 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -171.33 165.2 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.19 128.71 2.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.06 153.99 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 109.996 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -177.32 166.88 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.14 138.67 9.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.0 176.97 7.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 10' ' ' GLU . 34.6 mt-30 -90.78 37.86 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 9' ' ' GLN . 1.6 mt-10 87.06 -41.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t 67.31 -72.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 10' ' ' GLU . 72.9 mmt-85 -95.47 160.81 14.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.01 73.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -70.55 -75.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.31 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 177.89 160.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.55 128.48 37.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.789 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.4 pp -101.71 160.19 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 32' ' ' ILE . 6.7 m -135.99 157.33 47.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.414 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 47.1 p90 -153.66 162.32 41.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 23.7 mt-30 -101.36 157.45 16.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.486 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -132.68 136.38 46.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.48 ' HB3' HG13 ' A' ' 84' ' ' VAL . 2.4 tt0 -94.09 130.57 40.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' GLY . 6.5 mt -102.97 70.68 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.0 t -47.64 97.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . 136.92 -53.44 0.74 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.448 HD13 ' HD3' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -72.79 -29.13 63.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 70.7 74.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' HD3' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -174.35 157.35 2.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.285 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.415 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 86.2 t -113.52 109.86 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 3.8 m -92.72 156.67 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.86 146.95 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 10.1 mt -132.82 134.17 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 p -120.42 135.99 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.86 163.79 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.22 150.04 43.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.722 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.97 -57.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' PRO . 31.1 p -37.46 -55.02 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.475 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -41.38 161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -85.04 -176.01 6.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.887 HD12 ' OD1' ' A' ' 73' ' ' ASN . 1.4 mt -84.28 -23.67 30.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.446 ' HB2' HD22 ' A' ' 55' ' ' LEU . 6.2 pt20 -87.71 -36.98 17.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.5 mm-40 -74.29 -24.54 59.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.41 -25.47 25.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.08 -16.05 22.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -53.37 -49.88 85.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.03 -3.04 13.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.54 1.811 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 47' ' ' ILE . 14.6 mm -100.59 -47.83 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.739 HD13 ' C ' ' A' ' 54' ' ' SER . 18.8 mt -62.05 -43.58 98.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.45 -33.82 76.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.35 -5.38 59.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.467 ' CE1' HG23 ' A' ' 47' ' ' ILE . 48.3 m80 -121.55 7.83 10.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.558 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 61.52 13.71 38.99 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' LEU . 50.2 mt -91.19 -165.28 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.739 ' C ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -155.7 -173.5 4.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.056 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.449 HD23 HD11 ' A' ' 48' ' ' LEU . 10.7 mt -99.67 -23.14 15.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -101.89 28.2 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -128.37 -63.33 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.8 m -71.68 175.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.486 HG13 ' HB3' ' A' ' 68' ' ' PRO . 90.7 t -143.72 108.58 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.782 HD21 HD13 ' A' ' 83' ' ' LEU . 4.9 tp -88.13 131.18 34.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -169.46 122.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -45.55 156.45 0.42 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.606 ' HB3' HG21 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.03 91.11 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.73 50.83 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -122.2 -170.58 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -122.6 -43.7 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.67 161.5 39.43 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.486 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -74.98 133.9 17.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.543 1.812 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 64.3 mtp -58.03 174.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.444 ' C ' ' N ' ' A' ' 72' ' ' GLU . 8.6 m-20 -113.16 100.75 8.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.554 HD23 ' HB3' ' A' ' 40' ' ' LEU . 3.0 mt -39.98 -30.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 70' ' ' ASP . 28.8 mt-10 -41.12 -30.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.887 ' OD1' HD12 ' A' ' 40' ' ' LEU . 8.9 p30 -73.27 146.8 87.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.13 39.25 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.722 HG23 ' HA ' ' A' ' 36' ' ' PRO . 15.6 m -62.11 -14.35 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -12.71 61.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.82 -4.65 36.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.581 HG21 HD21 ' A' ' 40' ' ' LEU . 5.4 m -127.97 23.47 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.695 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -101.72 74.61 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.08 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -94.18 174.6 7.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -94.87 143.58 26.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.782 HD13 HD21 ' A' ' 60' ' ' LEU . 78.3 mt -103.33 164.45 11.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.606 HG21 ' HB3' ' A' ' 63' ' ' PRO . 48.8 t -126.68 134.59 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 tp -112.63 123.08 49.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -105.38 76.38 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 79.8 p -49.27 156.75 0.98 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.396 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 154.02 42.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 56.04 4.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 172.21 106.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -161.03 127.25 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -58.03 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.47 97.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.27 83.2 5.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -149.06 139.15 22.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.31 160.93 26.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.12 156.51 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.75 -59.75 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 57.0 p -90.5 128.83 36.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.22 85.54 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 161.27 38.96 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.0 p -103.87 165.15 11.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.41 138.05 31.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.035 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -171.95 152.53 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 p -170.48 169.11 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.78 -179.61 43.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.38 163.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -129.5 160.4 33.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.53 -157.62 27.87 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -74.79 86.83 2.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 0.739 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -126.92 166.29 17.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -133.5 152.06 51.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.6 m -58.15 166.28 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 54.31 102.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.61 -63.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 176.42 179.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.243 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 60.55 157.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.57 126.06 7.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.687 HD11 ' HB ' ' A' ' 75' ' ' VAL . 1.8 pp -106.88 152.35 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 m -132.18 155.79 47.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.581 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 49.7 p90 -153.83 163.17 40.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.452 ' OE1' HG12 ' A' ' 29' ' ' VAL . 9.6 mt-30 -101.32 157.49 16.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.584 HD21 HD21 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -131.42 136.98 48.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -97.2 108.65 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 mt -80.63 69.12 7.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.3 t -40.33 118.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.32 -48.56 0.92 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.923 HD13 ' HD3' ' A' ' 28' ' ' ARG . 0.6 OUTLIER -77.96 -7.8 57.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 26' ' ' LEU . 9.5 pt-20 42.88 57.94 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.923 ' HD3' HD13 ' A' ' 26' ' ' LEU . 6.3 ptm180 -153.65 131.46 11.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.452 HG12 ' OE1' ' A' ' 20' ' ' GLN . 79.4 t -91.8 125.17 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.5 m -111.9 160.17 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -117.2 146.08 43.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 7.5 mt -132.66 129.94 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.4 p -120.69 137.35 54.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.93 156.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -51.72 151.46 6.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.727 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.99 -51.53 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.8 p -43.58 -54.41 4.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.48 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 3.5 mttt -42.32 162.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -87.07 -174.11 4.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.125 HD11 HG11 ' A' ' 78' ' ' VAL . 1.1 mt -83.2 -25.75 31.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.574 ' HB2' HD22 ' A' ' 55' ' ' LEU . 8.4 pt20 -86.59 -39.1 16.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.48 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.1 mm-40 -70.02 -26.94 64.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.39 -24.79 25.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.17 -15.74 23.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.528 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.08 -50.33 84.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.097 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.4 Cg_endo -75.01 -3.21 13.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.435 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 18.1 mm -100.29 -43.18 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 53' ' ' LEU . 10.1 mt -72.32 -39.04 68.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.9 65.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -93.39 -10.54 34.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 30.9 m80 -115.06 7.97 15.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.627 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.51 19.75 54.44 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.1 mt -94.07 -169.74 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.09 172.19 14.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.585 HD22 HD13 ' A' ' 71' ' ' LEU . 15.2 mt -88.05 -31.87 19.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.3 35.31 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -135.39 -45.27 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.712 ' HB ' HD21 ' A' ' 85' ' ' LEU . 5.7 m -94.86 147.71 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.656 ' O ' HD22 ' A' ' 85' ' ' LEU . 90.9 t -111.27 123.07 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -108.38 140.23 41.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.802 ' N ' HD13 ' A' ' 60' ' ' LEU . 26.2 p80 -174.96 116.85 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.595 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HB3' ' CD2' ' A' ' 83' ' ' LEU . 9.9 ptm180 -50.76 156.28 1.67 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 117.71 5.02 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.02 -40.23 1.67 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -66.65 -174.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.365 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.5 -76.92 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -64.07 163.82 21.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.471 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -74.95 133.34 16.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.47 1.773 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -71.26 165.73 23.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -96.98 162.26 13.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.585 HD13 HD22 ' A' ' 55' ' ' LEU . 4.0 mt -100.74 -19.86 15.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -54.28 -27.92 38.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.82 ' OD1' HD12 ' A' ' 40' ' ' LEU . 9.0 p30 -71.07 144.3 89.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 143.76 29.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.835 ' HA ' HG22 ' A' ' 78' ' ' VAL . 15.9 m -57.59 -17.93 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -19.12 61.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.03 -32.51 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.125 HG11 HD11 ' A' ' 40' ' ' LEU . 4.2 m -92.09 16.28 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.39 141.42 50.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 81' ' ' GLN . 0.4 OUTLIER 72.31 150.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 80' ' ' SER . 1.4 tt0 84.12 -179.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.5 m -118.24 133.33 55.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.797 HD13 HD11 ' A' ' 60' ' ' LEU . 25.5 mt -93.8 172.26 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 73.1 t -127.43 134.0 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.712 HD21 ' HB ' ' A' ' 58' ' ' VAL . 3.3 tm? -118.91 136.19 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.443 ' H ' HD22 ' A' ' 85' ' ' LEU . 9.9 t0 -120.94 79.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 41.2 p -41.55 157.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.348 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.99 23.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 57.7 4.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.3 -56.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.96 116.48 3.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.91 -67.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.34 148.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.9 p -146.27 131.57 18.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.976 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -174.75 103.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.73 -62.16 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 42.35 88.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.235 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 p -51.45 112.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.69 114.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.04 117.89 7.12 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 168.41 24.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -129.91 106.51 8.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.5 t -83.67 -60.68 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.942 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.77 170.4 19.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.07 -59.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.44 178.35 41.29 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.08 161.05 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 0.791 . . . . 0.0 109.989 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 174.54 157.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.052 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.64 178.25 38.51 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -178.32 139.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.25 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -148.01 165.1 31.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -131.61 141.99 49.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.3 t -132.3 -70.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.75 142.84 57.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tp -158.52 147.4 18.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 59.94 77.1 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -172.22 117.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.9 126.74 16.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.83 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.7 pp -101.62 151.58 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -129.37 152.55 48.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 49.0 p90 -151.47 162.99 40.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -101.07 157.52 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.695 HD11 HD13 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -127.36 145.09 50.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -102.72 98.1 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' LEU . 4.1 mt -71.29 70.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.525 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 75.7 t -40.17 -47.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.3 -42.65 98.88 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.573 HD21 ' HD2' ' A' ' 28' ' ' ARG . 3.7 tp -116.22 98.39 6.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.33 95.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.573 ' HD2' HD21 ' A' ' 26' ' ' LEU . 11.5 ptm180 179.43 172.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.2 t -124.53 130.87 73.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 3.6 m -119.6 157.28 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.89 145.36 42.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.8 mt -129.85 137.45 56.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.1 p -125.03 130.93 53.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.463 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . . . -172.13 152.0 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -47.46 151.34 1.41 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.711 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.99 -60.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.8 p -40.33 -34.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 4.6 mttt -61.17 155.76 19.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -82.16 -176.62 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.899 HD22 ' CD2' ' A' ' 60' ' ' LEU . 1.2 mt -80.37 -20.26 44.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.542 ' HB2' HD22 ' A' ' 55' ' ' LEU . 6.9 pt20 -89.12 -41.17 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 27.6 mt-10 -67.92 -28.79 67.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 34' ' ' ALA . . . -84.52 -28.09 26.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -91.61 -9.48 43.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.516 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -58.97 -50.86 85.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.0 -3.56 14.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.528 HG23 ' CE1' ' A' ' 51' ' ' HIS . 22.0 mm -100.79 -44.69 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 53' ' ' LEU . 13.7 mt -73.05 -55.04 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.25 -38.46 26.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' N ' ' A' ' 52' ' ' GLY . 1.8 tttm -74.75 -74.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.528 ' CE1' HG23 ' A' ' 47' ' ' ILE . 69.7 m80 -41.39 -29.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.553 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 50' ' ' LYS . . . 99.79 28.54 7.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 83.0 mt -105.53 -171.92 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.4 m -139.24 171.77 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.542 HD22 ' HB2' ' A' ' 41' ' ' GLN . 16.8 mt -87.23 -19.72 27.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -109.32 30.83 6.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -130.25 -46.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 m -87.53 155.37 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.545 HG13 ' HB3' ' A' ' 68' ' ' PRO . 57.5 t -124.35 110.94 26.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.899 ' CD2' HD22 ' A' ' 40' ' ' LEU . 9.3 tp -97.47 136.27 38.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 68' ' ' PRO . 2.6 p-80 -177.49 134.25 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.626 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.464 ' HG3' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -62.09 158.09 47.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 76.45 3.39 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 164.09 -44.06 0.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -43.31 166.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 0.741 . . . . 0.0 110.273 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.65 -74.22 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.71 159.96 54.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.545 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.0 Cg_endo -75.02 145.41 31.33 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.549 1.815 . . . . 0.0 110.991 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.3 mtt -51.36 172.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.448 ' C ' ' N ' ' A' ' 72' ' ' GLU . 7.2 m-20 -122.87 18.85 10.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.444 HD13 HD22 ' A' ' 55' ' ' LEU . 2.0 mt 40.01 30.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 70' ' ' ASP . 6.0 mt-10 -103.48 -20.9 13.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -86.86 152.35 53.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.3 Cg_endo -74.96 136.68 20.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.813 ' HA ' HG22 ' A' ' 78' ' ' VAL . 5.2 m -48.28 -24.25 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 74' ' ' PRO . 80.4 p -50.56 -31.24 15.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 109.992 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.58 -37.22 43.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.931 ' HB ' HD11 ' A' ' 83' ' ' LEU . 24.3 m -96.63 48.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.83 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -132.08 64.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.74 -49.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 62' ' ' ARG . 50.6 mm-40 -104.0 -178.32 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.347 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.4 m -100.57 123.68 45.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.931 HD11 ' HB ' ' A' ' 78' ' ' VAL . 85.1 mt -82.99 169.98 15.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.525 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 38.3 t -126.57 132.51 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.695 HD13 HD11 ' A' ' 21' ' ' LEU . 5.5 tp -110.76 126.5 54.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -111.75 76.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.3 p -51.09 157.34 1.5 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.64 34.83 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 57.64 4.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 169.38 127.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -173.31 150.38 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -79.47 156.34 27.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.13 170.26 16.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 t -137.52 -56.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -157.66 120.99 4.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -172.71 165.45 5.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.54 -67.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.8 t 68.22 108.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.5 150.75 21.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 133.49 97.35 0.62 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 164.09 33.99 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.3 169.28 17.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.4 m 63.08 145.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.944 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -123.01 94.29 4.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.777 . . . . 0.0 110.023 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 t -68.26 107.44 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.42 -132.68 11.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 m 64.43 95.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 110.05 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.52 161.18 42.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.04 171.38 0.05 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -170.73 129.69 0.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 0.772 . . . . 0.0 109.291 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 58.17 161.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -130.34 111.52 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.2 t -135.47 -58.54 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.6 mmm-85 -77.48 140.48 39.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.339 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 13' ' ' LEU . 4.4 mm? -79.11 148.99 32.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.69 166.99 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -93.84 153.6 18.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.92 129.09 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.819 HD11 ' HB ' ' A' ' 75' ' ' VAL . 1.8 pp -101.64 151.02 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 32' ' ' ILE . 19.7 m -133.52 158.21 43.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 34.3 p90 -152.42 166.09 33.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.468 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 28.7 mt-30 -101.27 153.88 19.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.493 HD12 HD11 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -128.72 135.1 48.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -97.77 107.12 19.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.47 HD13 ' NE ' ' A' ' 28' ' ' ARG . 5.8 mt -73.81 72.58 1.55 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.494 ' CG2' HG13 ' A' ' 84' ' ' VAL . 66.0 t -42.52 122.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.07 13.74 24.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.626 HD22 ' CZ ' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -149.92 -169.52 3.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.0 109.358 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -133.18 77.68 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.239 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.626 ' CZ ' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -166.92 177.09 6.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 93.7 t -144.65 91.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 m -71.18 150.35 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.468 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 13.4 tpp85 -114.07 150.33 34.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 18' ' ' THR . 10.5 mt -132.85 125.73 52.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.413 ' CA ' HG23 ' A' ' 18' ' ' THR . 0.2 OUTLIER -120.0 130.69 54.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.1 159.25 5.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.553 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -52.83 153.14 6.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.359 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.697 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.92 -58.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.4 p -38.18 -56.68 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.1 mttt -40.17 157.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -82.77 -175.96 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.705 HD21 HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -82.42 -27.55 31.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.543 ' HA ' HD22 ' A' ' 55' ' ' LEU . 18.4 pt20 -82.84 -40.85 19.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.454 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 6.6 mm-40 -70.81 -25.31 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.72 -25.08 24.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.98 -12.9 24.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.671 ' HG2' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -56.79 -49.38 94.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.5 Cg_endo -74.99 -3.69 14.3 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.45 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 20.1 mm -101.04 -49.82 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.809 ' CD1' HD23 ' A' ' 55' ' ' LEU . 40.3 mt -66.32 -41.45 89.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.04 -31.11 72.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.87 -10.84 49.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 36.1 m80 -113.25 9.43 18.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.646 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.33 14.81 35.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' LEU . 68.0 mt -91.65 -174.96 4.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.495 ' C ' HD13 ' A' ' 48' ' ' LEU . 1.2 m -143.59 151.94 40.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.931 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.809 HD23 ' CD1' ' A' ' 48' ' ' LEU . 2.3 mt -68.38 -24.94 64.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -103.31 20.57 17.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.401 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 41.6 mm-40 -116.33 -48.97 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.615 ' HB ' HD21 ' A' ' 85' ' ' LEU . 21.0 m -88.58 164.39 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.669 HG13 ' HB3' ' A' ' 68' ' ' PRO . 23.8 t -129.91 116.31 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD22 HD22 ' A' ' 40' ' ' LEU . 4.8 tp -97.26 141.01 30.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.651 ' ND1' HG12 ' A' ' 59' ' ' VAL . 20.8 p-80 178.55 118.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.462 ' HG3' HD23 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -41.9 161.46 0.15 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.651 ' HB3' HG21 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 76.56 3.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.549 1.815 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.31 51.24 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -116.1 178.01 4.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -99.5 -68.58 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -105.76 160.87 24.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.669 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -74.95 153.24 41.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.533 ' HE3' HD13 ' A' ' 40' ' ' LEU . 2.2 mmm -70.59 142.79 51.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.441 ' C ' ' N ' ' A' ' 72' ' ' GLU . 87.3 m-20 -91.21 20.01 5.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt 40.19 29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.441 ' N ' ' C ' ' A' ' 70' ' ' ASP . 0.8 OUTLIER -96.36 -38.85 9.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -67.48 153.88 94.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.4 Cg_endo -74.96 140.57 25.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.46 1.769 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.819 ' HB ' HD11 ' A' ' 17' ' ' ILE . 4.3 m -46.72 -26.18 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' PRO . 91.9 p -54.83 -19.07 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.29 -33.05 29.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.905 ' HB ' HD11 ' A' ' 83' ' ' LEU . 6.2 m -84.37 -5.92 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -52.05 122.13 7.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.3 OUTLIER 84.89 154.39 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 78.13 177.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.466 HG23 ' CB ' ' A' ' 20' ' ' GLN . 32.5 m -116.75 119.33 35.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.426 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.905 HD11 ' HB ' ' A' ' 78' ' ' VAL . 16.3 mt -76.25 173.97 10.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.651 HG21 ' HB3' ' A' ' 63' ' ' PRO . 67.0 t -134.4 126.32 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.615 HD21 ' HB ' ' A' ' 58' ' ' VAL . 2.2 tm? -108.36 139.71 42.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.455 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -127.55 81.35 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.52 HG23 HD12 ' A' ' 85' ' ' LEU . 12.6 p -51.61 157.77 1.74 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.04 19.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -38.07 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.77 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -121.12 113.38 19.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.369 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -122.51 133.85 54.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.74 125.55 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.675 ' HB3' ' HB2' ' A' ' 96' ' ' ALA . 3.6 tpt -168.09 137.91 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.2 t -48.97 -55.97 10.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.959 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.61 63.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.675 ' HB2' ' HB3' ' A' ' 93' ' ' MET . . . -85.73 165.45 16.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -163.25 100.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -178.7 150.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -59.03 136.06 57.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -153.57 97.56 0.17 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 160.45 40.02 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.508 1.794 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.8 p -132.17 124.84 29.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.0 t -178.81 -60.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 m 64.18 -77.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 1' ' ' GLY . 36.9 t -161.93 -59.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.89 89.11 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -170.79 115.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.018 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -176.28 168.2 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.58 179.73 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 170.37 -54.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.508 ' O ' ' CB ' ' A' ' 10' ' ' GLU . 19.3 pt20 179.38 -175.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER 160.57 -26.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.3 t 64.44 -80.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -118.12 144.23 45.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.96 156.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -100.35 151.74 21.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -56.08 -178.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.86 128.43 1.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.608 HD11 ' HB ' ' A' ' 75' ' ' VAL . 1.8 pp -101.74 161.07 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 32' ' ' ILE . 14.7 m -140.17 158.42 44.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 45.1 p90 -154.56 161.58 41.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.45 ' OE1' ' NE ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -100.64 156.81 17.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.567 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -134.12 141.59 47.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -99.27 109.49 22.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.412 HD13 ' HD3' ' A' ' 28' ' ' ARG . 4.0 mt -79.14 72.14 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.485 ' CG2' HG13 ' A' ' 84' ' ' VAL . 96.4 t -44.44 132.04 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.3 -46.57 2.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.05 -29.86 58.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 65.13 74.88 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.412 ' HD3' HD13 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -172.61 136.33 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.5 t -95.17 113.82 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.085 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.0 m -101.19 160.17 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.516 ' HD2' HG22 ' A' ' 18' ' ' THR . 15.5 tpp85 -122.31 142.57 50.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.638 ' O ' HG23 ' A' ' 18' ' ' THR . 11.2 mt -125.55 132.1 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.6 p -119.53 132.56 55.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.97 161.4 3.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.69 153.06 32.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.741 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.99 -58.35 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.783 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' PRO . 67.7 p -37.11 -53.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -43.91 165.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -90.07 -176.86 5.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.769 HD11 HG11 ' A' ' 78' ' ' VAL . 1.1 mt -82.61 -27.58 31.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.512 ' HB2' HD22 ' A' ' 55' ' ' LEU . 10.4 pt20 -86.72 -33.98 19.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 14.2 mm-40 -73.54 -27.45 61.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.78 -22.52 25.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.58 -15.24 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.525 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.76 -50.51 86.7 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.4 Cg_endo -74.97 -2.93 13.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.527 HG23 ' CE1' ' A' ' 51' ' ' HIS . 17.6 mm -100.55 -49.78 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.519 HD21 HG21 ' A' ' 58' ' ' VAL . 24.0 mt -60.79 -56.85 16.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.47 -49.65 44.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -36.37 81.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.527 ' CE1' HG23 ' A' ' 47' ' ' ILE . 49.6 m80 -88.22 7.76 30.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 60.09 23.14 59.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.8 mt -98.91 -167.93 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.511 ' C ' HD13 ' A' ' 48' ' ' LEU . 12.8 m -144.39 172.92 12.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 41' ' ' GLN . 19.1 mt -86.06 -27.32 24.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -100.11 30.94 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -129.24 -48.64 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.739 ' HB ' HD11 ' A' ' 85' ' ' LEU . 7.2 m -90.9 140.52 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.461 HG13 ' HB3' ' A' ' 68' ' ' PRO . 57.3 t -112.83 116.89 53.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 61' ' ' HIS . 1.5 tt -91.08 138.13 31.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.673 ' N ' HD23 ' A' ' 60' ' ' LEU . 23.7 p80 -174.92 114.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.591 ' HB3' HD23 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -65.46 159.15 69.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.609 ' HD3' HG23 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.0 82.85 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.807 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.62 -25.6 0.33 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.483 ' HG2' ' CG ' ' A' ' 62' ' ' ARG . 11.3 mm-40 -89.6 -28.8 19.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 0.788 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt 68.14 -75.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.08 161.78 0.54 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 118.16 5.17 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.3 mmm -57.04 169.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.86 107.5 18.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.422 ' C ' ' N ' ' A' ' 73' ' ' ASN . 2.0 mt -56.11 -37.17 69.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.402 ' CD ' ' OD1' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -41.36 -28.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.422 ' N ' ' C ' ' A' ' 71' ' ' LEU . 7.6 m-20 -71.35 147.44 92.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 139.68 24.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.421 1.748 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.753 ' HA ' HG22 ' A' ' 78' ' ' VAL . 14.8 m -54.35 -24.17 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -51.8 -24.92 6.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.019 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.75 -25.92 26.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.036 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.769 HG11 HD11 ' A' ' 40' ' ' LEU . 3.6 m -108.33 45.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.22 44.91 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -174.81 161.8 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.962 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 60.93 170.01 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 54.5 m -102.29 126.32 49.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.591 HD23 ' HB3' ' A' ' 62' ' ' ARG . 21.6 mt -85.13 176.14 8.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.609 HG23 ' HD3' ' A' ' 63' ' ' PRO . 58.1 t -133.38 124.52 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.739 HD11 ' HB ' ' A' ' 58' ' ' VAL . 1.6 tm? -104.61 143.26 33.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.731 ' N ' HD13 ' A' ' 85' ' ' LEU . 7.1 t0 -124.58 91.07 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.7 p -64.59 157.24 74.4 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 166.4 29.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 160.41 40.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.9 t0 53.87 90.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -161.24 93.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.72 -66.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.0 tmm? 41.04 83.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.9 p 47.62 80.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -179.85 172.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.239 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.13 149.27 30.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.63 141.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.5 p 178.0 88.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.56 104.82 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -176.9 154.7 16.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.35 41.98 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.54 148.92 18.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.2 167.79 10.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.027 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -176.81 167.73 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 110.019 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -179.9 167.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.939 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.87 -107.1 0.24 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.57 146.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.764 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -170.96 157.38 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.14 125.94 2.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -177.51 134.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -126.23 176.54 7.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.23 155.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.2 m -128.91 168.3 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.15 113.02 1.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.87 59.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -145.93 163.71 34.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -95.81 67.42 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.89 129.62 3.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.617 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.9 pp -105.89 154.33 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.424 HG23 ' HB3' ' A' ' 33' ' ' SER . 2.6 m -128.1 152.59 47.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 48.8 p90 -151.33 161.88 41.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 15.4 mt-30 -101.2 157.78 16.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -132.52 142.26 49.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.1 tt0 -100.01 112.53 24.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -84.26 70.72 10.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.228 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.56 ' CG2' HG13 ' A' ' 84' ' ' VAL . 84.8 t -45.58 -59.44 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -37.54 -39.38 0.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.545 ' O ' ' CB ' ' A' ' 27' ' ' GLU . 1.2 tp -97.44 -96.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.545 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER 157.18 44.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.539 ' HD3' HD23 ' A' ' 26' ' ' LEU . 4.2 ptm180 -151.16 148.28 28.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.342 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.0 t -94.31 138.91 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.4 OUTLIER -121.98 164.15 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -118.83 142.19 47.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.587 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 6.3 mt -129.08 136.61 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.424 ' HB3' HG23 ' A' ' 18' ' ' THR . 71.7 p -123.51 134.76 53.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.74 160.43 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.503 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -55.36 151.52 19.19 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.738 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.97 -57.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' PRO . 38.5 p -38.14 -52.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -43.17 164.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -89.4 -178.47 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.05 -24.45 32.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.469 ' HB2' HD22 ' A' ' 55' ' ' LEU . 14.8 pt20 -87.12 -36.08 18.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -77.61 -24.86 49.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.03 -27.42 26.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.47 -15.86 25.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.544 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -52.08 -49.37 84.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.05 -3.28 13.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.536 HG23 ' CE1' ' A' ' 51' ' ' HIS . 15.0 mm -100.72 -46.54 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 53' ' ' LEU . 7.9 mt -67.35 -34.64 77.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.53 -22.47 61.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.33 -8.48 32.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.536 ' CE1' HG23 ' A' ' 47' ' ' ILE . 47.4 m80 -116.95 9.45 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.613 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.54 18.35 51.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' LEU . 48.8 mt -95.2 -167.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.34 178.98 8.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 41' ' ' GLN . 12.5 mt -91.69 -31.45 15.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.22 36.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -135.12 -48.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.84 ' HB ' HD21 ' A' ' 85' ' ' LEU . 17.4 m -92.53 167.45 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 68' ' ' PRO . 51.1 t -131.7 116.83 32.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -92.69 138.65 31.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -173.49 142.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.078 . . . . 0.0 109.585 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -70.93 160.18 83.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 95.54 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.552 1.817 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.69 54.51 0.47 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -117.32 178.43 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 110.299 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.08 -16.94 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -156.5 167.8 13.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.299 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.424 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -74.98 128.33 11.41 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 61.0 mtp -59.59 166.28 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -104.19 117.81 35.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.254 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.4 ' C ' ' N ' ' A' ' 73' ' ' ASN . 1.8 mt -55.63 -29.89 60.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -44.55 -26.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 71' ' ' LEU . 11.3 m-20 -74.9 148.39 84.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 144.84 30.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.738 HG23 ' HA ' ' A' ' 36' ' ' PRO . 13.3 m -56.61 -21.79 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.32 -20.49 43.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.68 -9.67 53.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.498 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 3.6 m -127.42 46.06 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.7 133.95 36.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.66 -61.57 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -45.35 153.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.0 m -94.17 147.0 23.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' GLU . 16.6 mt -118.65 159.16 24.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.56 HG13 ' CG2' ' A' ' 24' ' ' VAL . 81.0 t -118.46 118.7 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.84 HD21 ' HB ' ' A' ' 58' ' ' VAL . 3.4 tm? -101.69 137.11 40.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.568 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -124.32 94.84 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.4 HG23 ' CD1' ' A' ' 85' ' ' LEU . 25.5 p -62.94 157.62 59.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.31 42.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 55.95 4.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.4 t0 175.93 -59.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 60.3 105.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt 67.16 132.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.8 ttt -73.94 118.29 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.54 159.84 3.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.12 81.13 3.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -142.07 171.91 13.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.5 103.14 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.17 144.03 40.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.09 -58.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.071 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.25 97.05 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 160.82 39.6 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.18 -58.15 1.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.66 169.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.983 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.7 pp -103.48 165.68 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 32' ' ' ILE . 24.6 m -142.28 161.22 38.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 41.9 p90 -156.75 164.25 38.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -101.26 159.96 14.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.671 HD11 HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -132.08 138.69 48.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.452 ' HB3' HG13 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -93.93 117.86 30.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.4 mt -88.99 68.98 8.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.501 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 89.8 t . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.4 m -104.91 160.01 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 32' ' ' ILE . 9.4 ttt180 -118.68 145.71 45.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.603 HD11 HD12 ' A' ' 21' ' ' LEU . 8.1 mt -131.53 125.04 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.414 ' CA ' HG23 ' A' ' 18' ' ' THR . 91.2 p -116.64 138.72 51.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.14 162.57 1.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.52 152.51 33.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.742 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -74.99 -55.36 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.771 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.4 p -38.13 -53.96 1.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.439 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER -44.53 166.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -93.2 -174.09 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.059 HD11 HG11 ' A' ' 78' ' ' VAL . 1.4 mt -85.14 -22.37 28.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.508 ' HB2' HD22 ' A' ' 55' ' ' LEU . 8.6 pt20 -88.63 -37.1 15.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.251 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 5.1 mm-40 -75.26 -27.5 59.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.03 -25.84 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -91.76 -14.42 29.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.517 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -52.33 -50.7 78.13 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.06 -3.15 13.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 47' ' ' ILE . 21.9 mm -99.97 -42.79 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 54' ' ' SER . 16.3 mt -71.91 -39.87 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.91 -15.44 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -102.57 -5.98 23.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -121.28 8.73 10.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.587 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.25 17.47 61.62 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.557 1.161 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' LEU . 14.0 mt -97.06 -164.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.64 ' C ' HD13 ' A' ' 48' ' ' LEU . 58.2 m -156.83 170.73 21.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.508 HD22 ' HB2' ' A' ' 41' ' ' GLN . 12.6 mt -81.24 -17.15 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -107.61 15.23 24.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -114.12 -47.7 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.9 m -93.59 168.11 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.5 t -140.79 126.63 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.668 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -97.93 139.76 33.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.668 ' N ' HD13 ' A' ' 60' ' ' LEU . 3.8 p80 -176.29 119.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.572 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.404 ' C ' ' N ' ' A' ' 73' ' ' ASN . 1.9 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -44.42 -26.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 71' ' ' LEU . 8.2 m-20 -70.94 148.44 94.55 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.92 27.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.742 HG23 ' HA ' ' A' ' 36' ' ' PRO . 8.1 m -57.36 -19.51 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -15.81 30.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -102.01 -5.53 24.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.059 HG11 HD11 ' A' ' 40' ' ' LEU . 2.1 m -121.19 29.86 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.983 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -116.3 70.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.07 -67.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.97 178.12 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.3 m -93.46 133.24 36.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.611 ' HB3' HD11 ' A' ' 60' ' ' LEU . 2.6 mt -93.89 174.68 7.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.501 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 53.2 t -127.23 141.6 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.671 HD13 HD11 ' A' ' 21' ' ' LEU . 4.5 tp -112.65 127.54 56.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -110.95 81.55 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.7 p -58.56 158.77 14.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.117 0 O-C-N 124.531 1.806 . . . . 0.0 111.009 179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.758 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.6 pp -101.91 151.27 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 32' ' ' ILE . 8.9 m -129.43 157.98 40.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 43.8 p90 -154.71 163.29 40.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.459 ' CG ' ' HD3' ' A' ' 31' ' ' ARG . 6.3 mt-30 -102.32 156.16 17.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.467 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -128.9 152.06 48.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -112.27 95.17 5.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.7 73.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.511 HG23 HG13 ' A' ' 84' ' ' VAL . 41.8 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -144.44 163.35 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HD3' ' CG ' ' A' ' 20' ' ' GLN . 4.8 tpp180 -122.45 145.41 48.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.579 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.8 mt -130.43 134.23 62.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.457 ' CA ' HG23 ' A' ' 18' ' ' THR . 0.7 OUTLIER -123.14 129.8 51.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.973 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.3 156.74 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.91 151.08 3.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.729 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.94 -58.23 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.528 1.804 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' PRO . 75.5 p -38.28 -50.97 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.425 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.2 mttm -44.17 166.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 74' ' ' PRO . 9.4 mtm180 -94.03 -179.1 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.819 HD13 HD21 ' A' ' 60' ' ' LEU . 3.0 mt -79.92 -24.47 41.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.412 ' N ' ' HB3' ' A' ' 71' ' ' LEU . 6.3 pt20 -85.8 -38.76 17.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.254 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 1.9 mm-40 -75.12 -24.7 58.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.24 -24.57 25.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.41 -12.5 24.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.525 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.98 -50.43 88.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.0 Cg_endo -75.07 -3.05 13.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.452 1.764 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.45 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 17.0 mm -100.58 -48.79 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.771 ' CD1' HD23 ' A' ' 55' ' ' LEU . 35.5 mt -65.47 -44.81 86.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.04 -36.97 80.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -81.32 -11.65 59.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 31.3 m80 -112.46 7.76 19.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.562 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 59.71 20.53 52.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.541 1.151 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' LEU . 32.4 mt -94.61 -170.94 2.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.3 m -145.67 162.15 38.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.771 HD23 ' CD1' ' A' ' 48' ' ' LEU . 25.7 mt -78.16 -32.21 50.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -96.16 37.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -137.28 -54.69 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.661 ' HB ' HD11 ' A' ' 85' ' ' LEU . 27.0 m -83.94 140.48 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.0 t -107.46 109.23 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.958 HD11 HD13 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -92.14 133.41 35.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -176.03 139.9 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.644 ' HG3' HD23 ' A' ' 83' ' ' LEU . 11.9 mtt180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.55 HD23 HD22 ' A' ' 60' ' ' LEU . 2.7 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.58 -30.69 13.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -68.36 147.16 98.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 18.3 Cg_endo -74.99 146.6 32.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.812 ' HA ' HG22 ' A' ' 78' ' ' VAL . 17.1 m -62.78 -16.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.0 p -62.42 -13.88 34.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.93 -33.09 12.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.812 HG22 ' HA ' ' A' ' 75' ' ' VAL . 27.3 m -94.98 39.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.469 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -119.58 71.27 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.02 -66.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -89.2 171.25 9.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.4 m -93.04 130.79 38.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.397 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.958 HD13 HD11 ' A' ' 60' ' ' LEU . 69.8 mt -84.95 174.19 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.511 HG13 HG23 ' A' ' 24' ' ' VAL . 70.0 t -135.85 117.78 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.712 HD13 ' N ' ' A' ' 86' ' ' ASP . 1.5 tm? -99.68 140.5 33.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.712 ' N ' HD13 ' A' ' 85' ' ' LEU . 3.9 t0 -125.13 80.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.0 p -48.5 157.11 0.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.519 1.799 . . . . 0.0 110.972 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.695 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.7 pp -103.98 155.37 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 33' ' ' SER . 2.6 m -134.8 152.93 52.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 45.5 p90 -153.89 163.99 39.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.09 160.86 14.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.571 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -131.0 140.48 50.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.532 ' HB3' HG13 ' A' ' 84' ' ' VAL . 1.4 tt0 -95.3 112.63 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 24' ' ' VAL . 5.2 mt -84.46 69.49 10.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.454 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 84.5 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.14 157.05 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.415 ' HD3' HG21 ' A' ' 18' ' ' THR . 32.9 ttm180 -116.53 146.1 42.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 7.9 mt -131.01 129.34 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.556 ' HB3' HG23 ' A' ' 18' ' ' THR . 78.5 p -121.21 135.85 55.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.44 160.42 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.488 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -51.87 150.39 7.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.715 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.97 -59.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.2 p -37.98 -48.97 1.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.2 mttm -45.27 168.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -94.0 -176.46 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.746 HD11 HG11 ' A' ' 78' ' ' VAL . 1.7 mt -82.85 -26.85 31.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.456 ' HB2' HD22 ' A' ' 55' ' ' LEU . 11.6 pt20 -85.71 -37.69 19.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.47 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.0 mm-40 -72.95 -24.72 60.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.93 -23.24 25.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -94.82 -18.82 20.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.535 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -52.05 -49.83 82.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.0 -2.93 13.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.483 HG23 ' CE1' ' A' ' 51' ' ' HIS . 21.6 mm -100.7 -49.73 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.613 HD13 ' C ' ' A' ' 54' ' ' SER . 18.2 mt -61.02 -47.61 85.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.38 73.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.21 -3.1 58.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.483 ' CE1' HG23 ' A' ' 47' ' ' ILE . 41.4 m80 -123.63 7.39 8.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 62.01 23.8 64.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.69 -163.83 1.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 0.752 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.613 ' C ' HD13 ' A' ' 48' ' ' LEU . 5.0 m -155.57 173.84 16.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.033 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 41' ' ' GLN . 14.8 mt -85.02 -26.53 26.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -98.57 37.91 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -139.54 -55.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.909 ' HB ' HD11 ' A' ' 85' ' ' LEU . 10.8 m -83.75 138.22 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.1 t -111.97 109.07 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.682 HD11 HD13 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -91.5 137.3 32.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -169.17 115.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.622 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.413 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.1 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -49.42 -23.87 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -74.65 147.67 84.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.33 25.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.837 ' HA ' HG22 ' A' ' 78' ' ' VAL . 12.4 m -55.34 -19.61 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.2 p -55.69 -33.85 64.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.54 -38.98 54.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.837 HG22 ' HA ' ' A' ' 75' ' ' VAL . 17.7 m -92.51 46.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.609 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -125.99 78.14 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.54 -59.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.987 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -96.53 168.79 10.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.6 m -88.7 129.71 35.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.682 HD13 HD11 ' A' ' 60' ' ' LEU . 23.4 mt -86.41 171.8 10.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.532 HG13 ' HB3' ' A' ' 22' ' ' GLU . 46.4 t -126.79 139.94 50.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.909 HD11 ' HB ' ' A' ' 58' ' ' VAL . 0.6 OUTLIER -122.18 139.59 53.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.784 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -125.38 83.46 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.4 p -55.29 156.85 7.26 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 1.04 HD13 ' HB2' ' A' ' 79' ' ' ALA . 2.0 pp -103.03 160.2 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.441 HG23 ' HB3' ' A' ' 33' ' ' SER . 3.1 m -135.93 154.14 51.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 51.2 p90 -153.89 163.64 39.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -101.18 162.87 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.552 HD12 HD11 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -134.7 146.01 49.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.9 tt0 -103.29 111.92 24.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mt -84.14 73.39 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.446 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 91.4 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.4 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.1 m -108.88 160.18 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HD3' HG21 ' A' ' 18' ' ' THR . 0.3 OUTLIER -117.19 142.76 46.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.584 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 9.5 mt -128.45 133.41 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.441 ' HB3' HG23 ' A' ' 18' ' ' THR . 77.9 p -122.31 135.86 54.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.4 161.66 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -54.61 152.01 13.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.698 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -75.01 -56.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' PRO . 21.2 p -38.54 -57.15 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.469 ' CE ' ' HE3' ' A' ' 35' ' ' LYS . 1.2 tttm -41.12 160.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 74' ' ' PRO . 37.8 mtt180 -90.55 -175.85 4.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.947 HD11 HG11 ' A' ' 78' ' ' VAL . 3.7 mt -78.04 -21.15 51.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -87.5 -40.38 14.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 30.9 mt-10 -73.48 -24.47 60.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.35 -28.26 21.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.97 -8.73 39.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.667 ' HG2' HD11 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -62.31 -49.52 83.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.08 -4.53 15.52 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.463 HG23 ' CE1' ' A' ' 51' ' ' HIS . 19.9 mm -101.46 -56.24 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.612 ' CD1' HD23 ' A' ' 55' ' ' LEU . 64.6 mt -58.83 -43.31 90.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.26 96.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -79.52 -4.13 49.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.463 ' CE1' HG23 ' A' ' 47' ' ' ILE . 26.4 m80 -115.93 10.38 15.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.618 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.63 12.92 36.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' LEU . 44.7 mt -90.29 -163.52 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 0.725 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -158.07 161.29 38.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.667 HD11 ' HG2' ' A' ' 45' ' ' GLN . 15.6 mt -76.69 -33.32 58.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.27 36.16 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 57' ' ' GLN . 11.1 mm-40 -135.52 -54.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.698 ' HB ' HD11 ' A' ' 85' ' ' LEU . 9.5 m -82.37 173.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.2 t -136.7 133.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -111.45 140.81 45.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.703 ' N ' HD13 ' A' ' 60' ' ' LEU . 15.2 p80 -175.45 114.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.597 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.63 ' HG2' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -94.55 -31.15 14.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -73.93 149.24 87.58 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 18.3 Cg_endo -75.02 141.83 27.05 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.881 ' HA ' HG22 ' A' ' 78' ' ' VAL . 9.1 m -51.45 -22.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.8 p -52.81 -32.55 44.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -79.46 -39.45 32.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.947 HG11 HD11 ' A' ' 40' ' ' LEU . 5.2 m -89.63 43.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 1.04 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -127.58 56.29 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 t -150.47 -57.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.045 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.31 -173.83 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.7 m -96.15 139.82 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.829 HD11 ' HB ' ' A' ' 78' ' ' VAL . 97.7 mt -97.76 168.74 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.446 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 58.2 t -126.22 135.39 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.867 HD13 ' N ' ' A' ' 86' ' ' ASP . 1.0 OUTLIER -114.9 137.8 51.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.867 ' N ' HD13 ' A' ' 85' ' ' LEU . 5.9 t70 -122.9 90.81 3.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.5 p -57.43 157.02 14.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.691 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.7 pp -98.57 155.16 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 4.3 m -129.87 155.12 46.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 46.8 p90 -152.9 161.02 43.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 1.6 mt-30 -101.28 158.53 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.2 147.46 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.61 ' HB3' HG13 ' A' ' 84' ' ' VAL . 1.4 tt0 -105.2 97.6 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.422 HD23 HD12 ' A' ' 85' ' ' LEU . 17.9 mt -70.75 69.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.623 HG23 HG13 ' A' ' 84' ' ' VAL . 25.4 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.6 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -111.25 164.92 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.421 ' HD2' HG22 ' A' ' 18' ' ' THR . 12.6 tpp85 -127.88 139.47 52.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 11.1 mt -124.39 137.91 55.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.48 ' CA ' HG23 ' A' ' 18' ' ' THR . 0.8 OUTLIER -125.54 124.45 41.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.46 162.41 24.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -55.88 150.07 30.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.742 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.97 -56.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.523 1.801 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' PRO . 7.7 p -38.05 -51.23 1.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -45.83 169.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -94.64 -177.43 4.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.575 HD11 HG11 ' A' ' 78' ' ' VAL . 1.2 mt -81.61 -28.12 33.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -83.54 -37.69 22.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.485 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -73.78 -24.89 59.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.48 -24.04 25.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.02 -14.67 24.12 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.523 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.71 -50.65 85.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.5 Cg_endo -74.99 -3.22 13.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 18.3 mm -100.27 -46.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' LEU . 7.9 mt -65.81 -47.03 76.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.45 76.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.71 -16.32 54.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 35.9 m80 -108.73 7.9 26.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 63.1 11.47 38.87 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' LEU . 16.2 mt -87.6 -168.86 2.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.456 ' HB2' ' CG ' ' A' ' 57' ' ' GLN . 67.9 m -153.03 166.52 32.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.1 mt -79.92 -28.76 39.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -100.62 30.56 3.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 69.1 mm-40 -131.76 -47.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.855 ' HB ' HD21 ' A' ' 85' ' ' LEU . 3.2 m -94.84 148.62 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.2 t -117.54 130.79 71.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.526 HD13 ' H ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -106.4 146.75 30.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.526 ' H ' HD13 ' A' ' 60' ' ' LEU . 26.1 p80 -175.27 116.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.347 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.468 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.4 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -52.12 -20.86 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -75.89 149.52 82.98 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.06 22.54 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.772 ' HA ' HG22 ' A' ' 78' ' ' VAL . 15.6 m -55.91 -20.23 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.0 t -54.51 -26.94 34.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.964 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -39.34 23.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.772 HG22 ' HA ' ' A' ' 75' ' ' VAL . 34.3 m -92.53 45.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.66 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -122.33 72.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.95 -60.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.99 165.43 15.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.3 m -93.59 135.07 35.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.501 HD11 ' HB ' ' A' ' 78' ' ' VAL . 4.8 mt -96.78 165.48 12.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.623 HG13 HG23 ' A' ' 24' ' ' VAL . 47.2 t -124.77 123.25 65.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.855 HD21 ' HB ' ' A' ' 58' ' ' VAL . 1.0 OUTLIER -103.81 137.28 42.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.581 ' H ' HD22 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -121.41 95.43 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.555 ' CG2' HD11 ' A' ' 85' ' ' LEU . 39.9 p -58.64 158.84 14.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.3 mtm-85 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.782 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.6 pp -101.67 152.17 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 33' ' ' SER . 3.2 m -128.78 153.59 47.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 47.3 p90 -153.72 163.81 39.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -101.42 164.17 11.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.592 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -140.25 136.07 32.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.9 tt0 -92.07 116.19 28.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.65 74.11 8.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.435 ' CG2' HG13 ' A' ' 84' ' ' VAL . 48.0 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.245 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -116.24 166.36 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -125.23 140.95 52.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.585 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.5 mt -127.4 132.82 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.499 ' HB3' HG23 ' A' ' 18' ' ' THR . 39.7 p -121.39 132.4 54.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.033 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -174.61 151.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.515 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.58 152.34 0.7 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.687 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -75.03 -58.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 36' ' ' PRO . 67.9 p -38.5 -51.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.4 mttm -43.62 164.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.9 mtm-85 -91.79 -177.34 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.848 HD21 HG21 ' A' ' 78' ' ' VAL . 1.2 mt -81.33 -23.98 37.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 8.1 pt20 -84.89 -42.71 14.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.9 mm-40 -71.96 -24.41 61.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.255 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.72 -25.28 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.83 -9.78 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.556 ' HG2' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -58.32 -49.04 95.77 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.339 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.96 -4.22 15.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.447 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 20.9 mm -100.99 -49.54 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.812 ' CD1' HD23 ' A' ' 55' ' ' LEU . 41.0 mt -68.69 -25.52 64.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.14 -36.14 40.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.66 1.08 53.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 28.7 m80 -120.72 5.61 10.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.64 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.53 15.32 46.13 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' LEU . 14.4 mt -89.35 -165.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.1 m -151.71 156.13 39.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.812 HD23 ' CD1' ' A' ' 48' ' ' LEU . 22.1 mt -71.15 -23.38 62.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -103.9 36.09 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -134.69 -46.97 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.54 ' HB ' HD11 ' A' ' 85' ' ' LEU . 10.1 m -89.03 145.12 7.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.523 ' O ' HD22 ' A' ' 85' ' ' LEU . 47.1 t -117.51 114.56 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.518 ' HG ' HD23 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -93.38 140.72 29.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -177.7 117.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.48 ' HG3' HD23 ' A' ' 83' ' ' LEU . 2.7 mtp180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.433 ' CB ' ' HB3' ' A' ' 41' ' ' GLN . 7.2 mt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -102.2 -22.99 14.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -83.55 151.54 62.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.3 Cg_endo -74.99 135.58 19.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.839 ' HA ' HG22 ' A' ' 78' ' ' VAL . 11.7 m -46.51 -25.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 74' ' ' PRO . 54.8 p -51.52 -28.76 14.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.85 -29.38 32.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.955 ' HB ' HD11 ' A' ' 83' ' ' LEU . 19.6 m -106.33 51.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.782 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -134.08 70.7 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 t -176.2 -68.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -82.61 170.08 15.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -86.27 131.53 34.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.955 HD11 ' HB ' ' A' ' 78' ' ' VAL . 73.8 mt -94.1 159.04 15.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.435 HG13 ' CG2' ' A' ' 24' ' ' VAL . 69.5 t -122.43 129.78 75.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.781 HD13 ' N ' ' A' ' 86' ' ' ASP . 1.7 tm? -115.27 144.5 43.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.781 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -129.82 86.96 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.348 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.8 p -56.66 157.64 9.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 110.408 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.496 1.788 . . . . 0.0 110.981 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.677 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.8 pp -101.15 148.91 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 32' ' ' ILE . 6.9 m -127.43 157.67 39.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 47.7 p90 -154.84 163.27 40.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -101.3 154.13 19.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -127.59 146.89 50.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -105.02 111.27 23.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 mt -80.57 76.76 7.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.506 ' CG2' HG13 ' A' ' 84' ' ' VAL . 80.5 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.9 OUTLIER -109.94 163.3 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -118.96 147.4 44.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.593 ' O ' HG23 ' A' ' 18' ' ' THR . 10.1 mt -132.53 136.1 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -122.31 133.77 54.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.038 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -175.88 156.3 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -52.19 151.73 6.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.711 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -75.05 -58.75 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' PRO . 8.3 p -38.45 -49.69 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.391 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.468 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.4 mttm -44.56 164.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.3 mtm180 -91.86 179.31 5.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.887 HD11 HG11 ' A' ' 78' ' ' VAL . 1.2 mt -77.31 -25.85 51.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.48 ' HB2' HD22 ' A' ' 55' ' ' LEU . 12.2 pt20 -85.61 -41.03 15.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.6 mm-40 -71.88 -25.41 61.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.63 -25.68 24.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.99 -15.32 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.536 ' HG2' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -54.0 -49.88 87.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -74.98 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 47' ' ' ILE . 14.9 mm -100.53 -46.28 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 53' ' ' LEU . 15.7 mt -67.82 -37.66 82.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.16 -33.56 74.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 1.06 55.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 29.0 m80 -125.45 8.13 7.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.592 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.52 19.73 42.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' LEU . 66.5 mt -93.59 -168.95 2.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.37 163.71 38.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.536 HD11 ' HG2' ' A' ' 45' ' ' GLN . 5.7 mt -82.01 -21.48 37.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -101.55 16.74 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -118.18 -57.87 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.651 ' HB ' HD11 ' A' ' 85' ' ' LEU . 6.1 m -82.4 151.4 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.9 t -122.68 114.29 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.745 HD13 ' C ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -95.24 137.29 34.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.511 ' H ' HD22 ' A' ' 60' ' ' LEU . 5.9 p80 -176.01 123.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.4 mtt-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -85.77 -19.9 30.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -83.76 152.06 62.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 18.4 Cg_endo -74.99 137.97 22.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.711 HG23 ' HA ' ' A' ' 36' ' ' PRO . 9.6 m -47.36 -26.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.5 p -46.18 -33.09 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -40.59 60.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.887 HG11 HD11 ' A' ' 40' ' ' LEU . 3.4 m -89.01 44.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.677 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -127.69 77.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.0 t -178.53 -55.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -106.43 176.44 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.3 m -91.29 137.75 32.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.817 HD11 ' HB ' ' A' ' 78' ' ' VAL . 83.1 mt -94.11 175.16 6.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.506 HG13 ' CG2' ' A' ' 24' ' ' VAL . 93.4 t -132.5 130.4 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.839 HD13 ' N ' ' A' ' 86' ' ' ASP . 1.4 tm? -110.74 141.8 43.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.839 ' N ' HD13 ' A' ' 85' ' ' LEU . 10.8 t0 -129.17 89.27 2.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.4 p -61.2 157.4 43.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.388 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.633 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.9 pp -105.78 158.95 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 32' ' ' ILE . 16.0 m -134.28 159.63 40.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 51.1 p90 -154.7 163.19 40.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -102.27 160.02 14.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -137.33 150.77 47.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -107.84 120.94 43.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -91.45 74.07 6.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.518 ' CG2' HG13 ' A' ' 84' ' ' VAL . 14.7 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -124.6 167.95 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -126.9 141.75 51.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.574 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 6.7 mt -128.58 131.47 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.9 p -119.32 137.03 53.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.031 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.73 158.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -54.26 152.24 11.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.725 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.97 -58.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.517 1.799 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 36' ' ' PRO . 17.1 p -37.79 -53.77 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 2.0 mttt -42.83 163.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -89.04 -176.1 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.574 HD11 HG11 ' A' ' 78' ' ' VAL . 1.1 mt -83.45 -27.06 29.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.508 ' HB2' HD22 ' A' ' 55' ' ' LEU . 8.4 pt20 -84.51 -36.35 22.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.9 mm-40 -74.83 -27.1 60.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.05 -24.66 28.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -92.97 -12.95 29.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.526 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.54 -50.38 88.11 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.98 -3.25 13.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 17.8 mm -100.71 -45.23 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 53' ' ' LEU . 6.0 mt -69.8 -34.52 73.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.31 -36.84 79.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.79 -1.01 57.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 24.0 m80 -120.8 5.47 10.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.591 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.46 19.18 46.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.445 1.09 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' LEU . 30.0 mt -91.73 -165.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.3 m -156.68 163.22 39.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.508 HD22 ' HB2' ' A' ' 41' ' ' GLN . 12.0 mt -80.58 -21.03 42.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.61 32.29 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -134.44 -46.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 m -92.53 161.34 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.7 t -132.01 113.48 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 61' ' ' HIS . 1.3 tm? -88.7 139.01 30.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.833 ' N ' HD13 ' A' ' 60' ' ' LEU . 17.3 p80 -172.91 128.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.56 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.535 ' HG3' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -50.72 -28.13 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -71.46 148.05 93.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 140.31 25.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.889 ' HA ' HG22 ' A' ' 78' ' ' VAL . 16.8 m -55.35 -19.77 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -58.92 -18.73 36.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.951 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.2 -13.59 24.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.889 HG22 ' HA ' ' A' ' 75' ' ' VAL . 13.4 m -120.95 46.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -107.2 33.52 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -155.26 -176.45 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.028 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' SER . 45.4 mt-30 41.65 -163.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.2 m -129.05 126.83 40.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.447 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.535 HD23 ' HG3' ' A' ' 62' ' ' ARG . 4.9 mt -84.19 164.46 19.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.518 HG13 ' CG2' ' A' ' 24' ' ' VAL . 58.7 t -125.06 113.22 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.649 HD13 ' N ' ' A' ' 86' ' ' ASP . 3.4 tm? -97.24 137.49 36.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.649 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -121.5 90.36 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 37.9 p -57.68 158.35 12.08 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.386 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 1.019 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.7 pp -101.92 153.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 32' ' ' ILE . 6.1 m -128.46 156.65 42.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.379 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 48.7 p90 -154.19 162.05 41.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.418 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -101.11 163.95 12.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -139.27 143.87 38.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' OE1' HG22 ' A' ' 84' ' ' VAL . 1.2 tt0 -101.23 114.01 27.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mt -85.45 69.67 10.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.518 HG23 HG13 ' A' ' 84' ' ' VAL . 93.2 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.9 OUTLIER -117.38 162.08 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.418 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -120.89 140.3 52.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.578 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 10.1 mt -126.23 137.44 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.2 p -121.92 136.28 54.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.54 164.09 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -61.96 152.91 75.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.725 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.99 -55.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.427 1.751 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' PRO . 27.8 p -38.32 -54.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.484 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -45.03 166.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -92.32 -175.42 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.692 HD11 HG11 ' A' ' 78' ' ' VAL . 1.3 mt -83.0 -26.65 31.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.514 ' HB2' HD22 ' A' ' 55' ' ' LEU . 7.5 pt20 -83.78 -39.16 20.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.484 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.4 mm-40 -73.42 -25.85 60.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.34 -25.04 29.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -92.86 -15.76 26.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.529 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -52.96 -50.16 83.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.03 -3.08 13.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.777 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 47' ' ' ILE . 15.1 mm -100.08 -47.92 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 54' ' ' SER . 14.9 mt -62.58 -49.61 74.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.88 75.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -11.7 59.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 44.2 m80 -115.66 7.09 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.594 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 64.24 14.04 55.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' LEU . 14.1 mt -91.89 -163.91 1.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.76 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.596 ' C ' HD13 ' A' ' 48' ' ' LEU . 69.4 m -154.48 175.33 13.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.941 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 41' ' ' GLN . 23.4 mt -86.55 -23.75 25.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -102.1 30.25 4.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -131.42 -53.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.839 ' HB ' HD21 ' A' ' 85' ' ' LEU . 11.1 m -87.34 137.25 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.4 ' O ' HD22 ' A' ' 85' ' ' LEU . 89.8 t -109.45 121.89 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.578 HD13 ' N ' ' A' ' 61' ' ' HIS . 2.1 tm? -98.15 139.6 33.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.578 ' N ' HD13 ' A' ' 60' ' ' LEU . 1.1 p80 -177.6 121.79 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 109.637 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.34 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.454 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 2.9 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -41.29 -28.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 71' ' ' LEU . 67.3 m-20 -67.12 152.24 96.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 139.58 24.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.816 ' HA ' HG22 ' A' ' 78' ' ' VAL . 10.9 m -58.73 -23.05 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.59 -25.47 17.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.5 -33.08 23.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.958 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.816 HG22 ' HA ' ' A' ' 75' ' ' VAL . 29.7 m -100.54 42.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 1.019 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -126.65 66.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.92 -52.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -101.83 177.72 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -94.23 142.3 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.531 HD11 ' HB ' ' A' ' 78' ' ' VAL . 9.2 mt -105.74 168.99 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.518 HG13 HG23 ' A' ' 24' ' ' VAL . 89.3 t -127.56 129.18 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.839 HD21 ' HB ' ' A' ' 58' ' ' VAL . 3.4 tm? -108.68 139.78 43.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.656 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -124.1 95.49 4.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.6 p -64.64 157.66 72.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.373 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.733 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.5 pp -102.37 158.15 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 32' ' ' ILE . 10.2 m -137.91 158.36 44.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 46.2 p90 -154.49 165.69 35.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.465 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 26.2 mt-30 -101.18 152.67 20.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.641 HD12 HD11 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -126.51 141.08 52.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -98.13 110.85 23.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.409 HD12 HG13 ' A' ' 30' ' ' VAL . 4.9 mt -81.9 70.26 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.546 ' CG2' HG13 ' A' ' 84' ' ' VAL . 40.2 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.9 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.409 HG13 HD12 ' A' ' 23' ' ' LEU . 3.6 m -101.33 155.63 4.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.465 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 15.3 tpp85 -113.88 150.1 34.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 18' ' ' THR . 8.4 mt -132.75 132.1 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.7 p -120.9 131.04 54.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.46 153.65 2.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.11 151.75 2.25 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.732 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -75.03 -59.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' PRO . 6.6 p -37.7 -50.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -44.97 161.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -87.15 179.43 6.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.909 HD11 HG11 ' A' ' 78' ' ' VAL . 1.2 mt -78.99 -29.05 43.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.457 ' HB2' HD22 ' A' ' 55' ' ' LEU . 13.0 pt20 -83.63 -34.04 25.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 42.1 mm-40 -76.59 -25.25 53.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.93 -23.78 25.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -94.62 -17.82 21.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.529 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -52.19 -50.16 80.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.01 -3.19 13.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 20.8 mm -100.24 -43.38 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 53' ' ' LEU . 11.8 mt -71.09 -35.74 71.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.84 -24.6 63.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -16.07 22.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 51.1 m80 -109.32 7.14 25.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.629 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.66 28.28 59.82 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.454 HD13 HG11 ' A' ' 58' ' ' VAL . 42.6 mt -101.1 -170.42 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.04 156.21 41.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.457 HD22 ' HB2' ' A' ' 41' ' ' GLN . 11.5 mt -71.46 -29.53 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.27 7.67 44.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -106.13 -60.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.591 ' HB ' HD11 ' A' ' 85' ' ' LEU . 5.6 m -83.9 141.85 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.4 t -108.98 119.73 59.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.652 HD13 ' H ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -89.97 138.01 31.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.652 ' H ' HD13 ' A' ' 60' ' ' LEU . 3.7 p80 -176.19 137.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.56 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.456 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.3 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -52.87 -21.06 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -75.67 151.81 84.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 142.94 28.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.862 ' HA ' HG22 ' A' ' 78' ' ' VAL . 13.0 m -62.09 -15.23 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 t -58.97 -29.94 67.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.93 -31.18 27.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.909 HG11 HD11 ' A' ' 40' ' ' LEU . 3.5 m -97.24 40.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.689 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -125.84 59.99 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.71 -59.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -98.35 173.78 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -89.92 139.55 30.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -100.37 168.89 9.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.546 HG13 ' CG2' ' A' ' 24' ' ' VAL . 92.9 t -128.31 123.38 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.719 HD13 ' N ' ' A' ' 86' ' ' ASP . 2.1 tm? -94.92 139.74 30.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.719 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -125.93 94.31 4.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.268 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.9 p -66.92 157.42 84.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.374 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.746 HD11 ' HB ' ' A' ' 75' ' ' VAL . 1.7 pp -102.14 157.87 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 32' ' ' ILE . 7.5 m -137.16 158.27 44.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 41.2 p90 -155.24 166.45 33.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 8.1 mt-30 -101.21 157.32 16.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.809 HD12 HD11 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -130.89 137.36 49.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -96.64 115.03 26.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' VAL . 5.8 mt -83.3 70.12 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.542 ' CG2' HG13 ' A' ' 84' ' ' VAL . 94.8 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 74.8 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 m -80.32 151.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.481 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 3.0 tpp85 -114.41 151.05 33.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.246 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.809 HD11 HD12 ' A' ' 21' ' ' LEU . 10.8 mt -132.31 133.16 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.7 p -122.81 135.04 54.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.68 161.46 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.26 153.86 24.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.737 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.95 -54.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.1 p -38.63 -56.05 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.2 mttm -43.34 164.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 74' ' ' PRO . 9.9 mtt-85 -92.44 -174.82 3.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.723 HD11 HG11 ' A' ' 78' ' ' VAL . 1.8 mt -82.97 -22.42 33.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.505 ' HB2' HD22 ' A' ' 55' ' ' LEU . 17.9 pt20 -88.99 -35.72 16.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.431 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 14.7 mm-40 -77.92 -26.85 49.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.94 -25.14 32.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -92.15 -15.44 27.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.528 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.92 -50.09 80.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.5 Cg_endo -74.98 -3.06 13.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 47' ' ' ILE . 13.6 mm -100.42 -48.0 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.369 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 54' ' ' SER . 11.4 mt -63.03 -45.01 94.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.53 -30.75 71.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -87.5 -0.58 57.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 46.0 m80 -127.11 5.52 6.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.582 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 64.54 16.3 60.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.572 1.17 . . . . 0.0 110.976 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.4 mt -94.79 -167.76 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 0.794 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.572 ' C ' HD13 ' A' ' 48' ' ' LEU . 74.5 m -152.21 179.05 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 41' ' ' GLN . 13.3 mt -89.86 -16.32 30.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.48 15.26 25.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -117.7 -43.97 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.611 ' HB ' HD21 ' A' ' 85' ' ' LEU . 3.0 m -102.54 150.47 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.5 t -121.43 124.94 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.772 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.9 OUTLIER -94.45 139.13 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.283 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.772 ' N ' HD13 ' A' ' 60' ' ' LEU . 4.0 p80 -175.82 148.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.582 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.834 ' HG2' HD23 ' A' ' 83' ' ' LEU . 9.2 mtt180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 2.2 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -23.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -73.84 146.39 85.31 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 18.4 Cg_endo -74.94 138.97 23.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.793 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.813 ' HA ' HG22 ' A' ' 78' ' ' VAL . 16.8 m -56.53 -18.6 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -22.87 64.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.23 -16.63 27.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.813 HG22 ' HA ' ' A' ' 75' ' ' VAL . 2.9 m -112.51 34.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.54 25.21 4.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.5 p -152.52 145.28 24.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.959 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 74.53 178.08 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.448 ' OG1' ' NE2' ' A' ' 20' ' ' GLN . 48.5 m -110.41 126.22 54.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 110.396 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.834 HD23 ' HG2' ' A' ' 62' ' ' ARG . 15.5 mt -84.15 174.68 10.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.542 HG13 ' CG2' ' A' ' 24' ' ' VAL . 86.4 t -126.97 137.12 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.611 HD21 ' HB ' ' A' ' 58' ' ' VAL . 2.7 tm? -110.4 138.97 46.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.419 ' N ' HD13 ' A' ' 85' ' ' LEU . 18.8 t0 -125.49 95.21 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.404 ' CG2' ' CD1' ' A' ' 85' ' ' LEU . 79.5 p -72.03 157.36 89.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 111.024 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 1.006 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.8 pp -107.79 151.18 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.48 HG23 ' HB3' ' A' ' 33' ' ' SER . 3.0 m -128.55 153.05 47.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 46.8 p90 -153.31 163.94 39.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -101.03 163.23 12.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -137.81 147.54 44.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -102.87 119.87 39.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -92.39 74.81 5.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.417 ' CG2' HG13 ' A' ' 84' ' ' VAL . 66.5 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 1.0 OUTLIER -116.01 162.38 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HD3' HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -120.44 142.35 49.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.585 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 8.8 mt -128.09 133.2 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.48 ' HB3' HG23 ' A' ' 18' ' ' THR . 70.8 p -122.05 134.7 54.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.53 155.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.25 151.73 2.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.722 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.0 Cg_endo -75.08 -59.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . 79.3 p -37.84 -53.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -41.08 155.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.411 ' NH1' ' HD3' ' A' ' 74' ' ' PRO . 1.2 mmp_? -78.69 -175.9 4.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.979 HD21 HG21 ' A' ' 78' ' ' VAL . 2.0 mt -84.68 -26.55 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.612 ' HB2' HD22 ' A' ' 55' ' ' LEU . 1.9 pt20 -84.8 -38.71 19.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.451 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 14.9 mm-40 -71.68 -24.45 61.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.68 -25.6 24.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.29 -16.42 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.531 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -52.8 -50.2 82.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -74.97 -3.31 13.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.426 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 16.0 mm -100.23 -42.83 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' LEU . 8.1 mt -72.79 -26.15 61.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.78 -33.66 60.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 1.49 57.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 28.7 m80 -123.58 4.47 8.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.606 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.13 25.18 56.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' LEU . 80.9 mt -97.4 -168.52 1.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.66 174.81 11.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.039 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 41' ' ' GLN . 7.0 mt -94.88 -13.54 25.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.67 7.18 18.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.24 -47.0 4.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.434 ' HB ' HD21 ' A' ' 85' ' ' LEU . 6.9 m -89.12 171.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.7 t -141.44 123.47 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.708 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -102.13 139.41 37.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.708 ' N ' HD13 ' A' ' 60' ' ' LEU . 15.2 p80 -172.84 117.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.576 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -76.57 -2.98 35.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -98.31 152.86 38.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.411 ' HD3' ' NH1' ' A' ' 39' ' ' ARG . 18.3 Cg_endo -74.97 139.97 24.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.722 HG23 ' HA ' ' A' ' 36' ' ' PRO . 6.3 m -53.01 -21.63 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.5 p -52.89 -23.05 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.984 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.45 -39.86 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.979 HG21 HD21 ' A' ' 40' ' ' LEU . 16.1 m -91.99 36.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 1.006 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -123.03 58.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.5 t -161.35 -54.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -101.79 179.04 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -92.99 136.08 33.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.421 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.909 HD11 ' HB ' ' A' ' 78' ' ' VAL . 28.5 mt -96.19 163.24 13.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.417 HG13 ' CG2' ' A' ' 24' ' ' VAL . 73.8 t -127.13 119.24 52.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.71 HD13 ' N ' ' A' ' 86' ' ' ASP . 2.6 tm? -103.5 138.2 40.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.71 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -125.42 90.52 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 42.6 p -57.78 158.95 10.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.958 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.78 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.5 pp -105.09 152.29 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 m -130.06 156.03 45.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 49.9 p90 -154.82 166.07 34.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -101.15 161.8 13.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.47 HD12 HD11 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -134.9 135.61 41.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -97.72 108.52 21.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.7 mt -82.64 80.63 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.501 ' CG2' HG13 ' A' ' 84' ' ' VAL . 20.6 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.8 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.7 m -125.23 159.15 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 32' ' ' ILE . 23.7 ttp180 -114.81 144.32 43.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.583 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 7.0 mt -130.83 129.7 63.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.5 p -119.59 134.59 55.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.42 154.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -48.97 151.02 2.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.68 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.96 -58.86 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.543 1.812 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' PRO . 22.3 p -38.28 -48.05 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.476 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -47.53 167.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -93.31 -172.74 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.079 HD11 HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -86.59 -23.68 25.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -85.61 -39.53 17.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.6 mm-40 -75.82 -21.9 56.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.9 -24.1 22.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.84 -18.14 19.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.557 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -53.89 -48.3 94.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.95 -4.59 15.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 18.6 mm -101.03 -49.67 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' LEU . 31.0 mt -68.29 -31.43 70.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.14 -28.12 63.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -96.39 1.02 51.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 28.6 m80 -121.03 8.79 10.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.556 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.78 17.54 54.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' LEU . 39.2 mt -94.53 -173.48 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.4 m -150.58 165.56 32.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.529 HD11 ' HG2' ' A' ' 45' ' ' GLN . 13.7 mt -81.55 -16.63 51.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.91 31.32 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -139.42 -62.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.579 ' HB ' HD21 ' A' ' 85' ' ' LEU . 14.7 m -66.73 149.61 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.76 105.29 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.617 HD11 ' HB3' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -87.32 139.79 30.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.542 ' H ' HD13 ' A' ' 60' ' ' LEU . 17.2 p80 -174.12 115.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.57 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.458 ' HG3' ' CD2' ' A' ' 83' ' ' LEU . 3.3 mtt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -49.02 -23.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -71.14 148.22 93.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 18.4 Cg_endo -75.02 133.21 16.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.837 ' HA ' HG22 ' A' ' 78' ' ' VAL . 5.4 m -46.88 -25.92 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' PRO . 3.9 t -47.04 -27.9 1.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.991 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.5 -40.32 23.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.079 HG11 HD11 ' A' ' 40' ' ' LEU . 12.2 m -90.91 39.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -124.96 45.66 2.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.9 t -151.15 -62.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.984 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -94.25 158.47 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.3 m -74.41 131.14 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.769 HD11 ' HB ' ' A' ' 78' ' ' VAL . 32.1 mt -84.77 169.91 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.501 HG13 ' CG2' ' A' ' 24' ' ' VAL . 74.9 t -135.22 122.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 86' ' ' ASP . 0.6 OUTLIER -107.52 132.26 53.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.603 ' N ' HD23 ' A' ' 85' ' ' LEU . 7.6 t0 -111.87 61.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.408 ' CG2' HD22 ' A' ' 85' ' ' LEU . 70.8 p -45.6 156.6 0.41 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.862 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.5 pp -95.3 151.57 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 2.6 m -128.98 153.42 47.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.441 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 47.0 p90 -150.98 164.33 36.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.467 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 30.7 mt-30 -100.92 157.56 16.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.507 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -129.9 139.94 51.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.529 ' HB3' HG13 ' A' ' 84' ' ' VAL . 1.8 tt0 -98.21 115.07 27.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mt -88.45 68.33 8.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.525 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 83.9 t . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 91.4 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 m -71.52 147.92 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.431 ' HD3' ' CG ' ' A' ' 20' ' ' GLN . 8.9 tpp85 -113.94 149.09 35.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.587 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.5 mt -132.9 138.8 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.444 ' CA ' HG23 ' A' ' 18' ' ' THR . 0.3 OUTLIER -128.75 128.55 44.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.29 153.5 5.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.513 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.96 151.46 0.88 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.678 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -75.08 -58.75 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.473 1.776 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.4 p -38.89 -49.6 1.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.407 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 2.1 mttt -45.31 166.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -92.99 -174.93 3.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.922 HD11 HG11 ' A' ' 78' ' ' VAL . 1.6 mt -84.54 -23.81 29.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.431 ' HB2' HD22 ' A' ' 55' ' ' LEU . 2.9 pt20 -86.47 -41.98 13.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.444 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 58.1 mm-40 -72.53 -23.3 60.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.22 -23.89 26.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.63 -15.65 21.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.535 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -52.2 -49.82 82.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.97 -3.3 13.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 47' ' ' ILE . 13.4 mm -100.68 -46.03 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.703 HD21 HG21 ' A' ' 58' ' ' VAL . 10.7 mt -68.66 -29.55 68.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.43 60.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.43 -4.35 57.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 44.8 m80 -119.02 6.19 11.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.68 19.54 49.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.562 1.164 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.7 mt -92.6 -166.18 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.3 m -148.32 172.9 13.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.431 HD22 ' HB2' ' A' ' 41' ' ' GLN . 25.3 mt -85.96 -23.45 26.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.49 28.24 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -129.82 -64.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.703 HG21 HD21 ' A' ' 48' ' ' LEU . 24.0 m -68.73 127.65 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -103.55 104.92 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -87.11 138.25 31.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.606 ' H ' HD13 ' A' ' 60' ' ' LEU . 2.3 p80 -176.97 136.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.628 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -51.53 -24.01 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.46 148.01 90.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.69 20.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.459 1.768 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.861 ' HA ' HG22 ' A' ' 78' ' ' VAL . 7.0 m -51.29 -24.65 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.4 t -49.58 -33.67 15.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.23 -37.5 53.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.939 ' HB ' HD11 ' A' ' 83' ' ' LEU . 14.1 m -96.07 48.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.862 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -132.43 51.04 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.6 t -154.94 -56.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.06 177.25 6.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -96.65 123.52 40.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.939 HD11 ' HB ' ' A' ' 78' ' ' VAL . 45.8 mt -83.79 159.76 21.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.529 HG13 ' HB3' ' A' ' 22' ' ' GLU . 39.0 t -122.41 125.73 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.672 HD13 HG22 ' A' ' 87' ' ' THR . 0.0 OUTLIER -106.9 124.23 49.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.351 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.423 ' N ' ' CD2' ' A' ' 85' ' ' LEU . 1.3 t70 -101.3 60.69 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.672 HG22 HD13 ' A' ' 85' ' ' LEU . 68.7 p -41.62 155.88 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.426 1.75 . . . . 0.0 111.054 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.789 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.4 pp -101.71 160.19 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 32' ' ' ILE . 6.7 m -135.99 157.33 47.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.414 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 47.1 p90 -153.66 162.32 41.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 23.7 mt-30 -101.36 157.45 16.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.486 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -132.68 136.38 46.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.48 ' HB3' HG13 ' A' ' 84' ' ' VAL . 2.4 tt0 -94.09 130.57 40.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -102.97 70.68 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.0 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.415 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 86.2 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 3.8 m -92.72 156.67 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.86 146.95 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 10.1 mt -132.82 134.17 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 p -120.42 135.99 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.86 163.79 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.513 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.22 150.04 43.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.722 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.97 -57.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' PRO . 31.1 p -37.46 -55.02 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.475 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -41.38 161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -85.04 -176.01 6.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.887 HD12 ' OD1' ' A' ' 73' ' ' ASN . 1.4 mt -84.28 -23.67 30.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.446 ' HB2' HD22 ' A' ' 55' ' ' LEU . 6.2 pt20 -87.71 -36.98 17.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.5 mm-40 -74.29 -24.54 59.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.41 -25.47 25.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.08 -16.05 22.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -53.37 -49.88 85.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.03 -3.04 13.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.54 1.811 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 47' ' ' ILE . 14.6 mm -100.59 -47.83 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.739 HD13 ' C ' ' A' ' 54' ' ' SER . 18.8 mt -62.05 -43.58 98.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.45 -33.82 76.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.35 -5.38 59.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.467 ' CE1' HG23 ' A' ' 47' ' ' ILE . 48.3 m80 -121.55 7.83 10.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.558 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 61.52 13.71 38.99 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' LEU . 50.2 mt -91.19 -165.28 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.739 ' C ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -155.7 -173.5 4.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.056 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.449 HD23 HD11 ' A' ' 48' ' ' LEU . 10.7 mt -99.67 -23.14 15.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -101.89 28.2 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -128.37 -63.33 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.8 m -71.68 175.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.7 t -143.72 108.58 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.782 HD21 HD13 ' A' ' 83' ' ' LEU . 4.9 tp -88.13 131.18 34.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -169.46 122.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.554 HD23 ' HB3' ' A' ' 40' ' ' LEU . 3.0 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -41.12 -30.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.887 ' OD1' HD12 ' A' ' 40' ' ' LEU . 8.9 p30 -73.27 146.8 87.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.13 39.25 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.722 HG23 ' HA ' ' A' ' 36' ' ' PRO . 15.6 m -62.11 -14.35 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -12.71 61.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.82 -4.65 36.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.581 HG21 HD21 ' A' ' 40' ' ' LEU . 5.4 m -127.97 23.47 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.695 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -101.72 74.61 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.08 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -94.18 174.6 7.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -94.87 143.58 26.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.782 HD13 HD21 ' A' ' 60' ' ' LEU . 78.3 mt -103.33 164.45 11.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 22' ' ' GLU . 48.8 t -126.68 134.59 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 tp -112.63 123.08 49.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -105.38 76.38 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 79.8 p -49.27 156.75 0.98 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.396 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.016 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.687 HD11 ' HB ' ' A' ' 75' ' ' VAL . 1.8 pp -106.88 152.35 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 m -132.18 155.79 47.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.581 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 49.7 p90 -153.83 163.17 40.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.452 ' OE1' HG12 ' A' ' 29' ' ' VAL . 9.6 mt-30 -101.32 157.49 16.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.584 HD21 HD21 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -131.42 136.98 48.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -97.2 108.65 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 mt -80.63 69.12 7.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.452 HG12 ' OE1' ' A' ' 20' ' ' GLN . 79.4 t . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.5 m -111.9 160.17 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -117.2 146.08 43.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 7.5 mt -132.66 129.94 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.4 p -120.69 137.35 54.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.93 156.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -51.72 151.46 6.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.727 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.99 -51.53 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.8 p -43.58 -54.41 4.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.48 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 3.5 mttt -42.32 162.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -87.07 -174.11 4.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.125 HD11 HG11 ' A' ' 78' ' ' VAL . 1.1 mt -83.2 -25.75 31.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.574 ' HB2' HD22 ' A' ' 55' ' ' LEU . 8.4 pt20 -86.59 -39.1 16.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.48 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.1 mm-40 -70.02 -26.94 64.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.39 -24.79 25.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.17 -15.74 23.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.528 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.08 -50.33 84.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.097 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.4 Cg_endo -75.01 -3.21 13.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.435 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 18.1 mm -100.29 -43.18 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 53' ' ' LEU . 10.1 mt -72.32 -39.04 68.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.9 65.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -93.39 -10.54 34.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 30.9 m80 -115.06 7.97 15.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.627 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.51 19.75 54.44 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.1 mt -94.07 -169.74 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.09 172.19 14.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.585 HD22 HD13 ' A' ' 71' ' ' LEU . 15.2 mt -88.05 -31.87 19.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.3 35.31 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -135.39 -45.27 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.712 ' HB ' HD21 ' A' ' 85' ' ' LEU . 5.7 m -94.86 147.71 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.656 ' O ' HD22 ' A' ' 85' ' ' LEU . 90.9 t -111.27 123.07 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -108.38 140.23 41.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.802 ' N ' HD13 ' A' ' 60' ' ' LEU . 26.2 p80 -174.96 116.85 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.595 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HB3' ' CD2' ' A' ' 83' ' ' LEU . 9.9 ptm180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.585 HD13 HD22 ' A' ' 55' ' ' LEU . 4.0 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -54.28 -27.92 38.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.82 ' OD1' HD12 ' A' ' 40' ' ' LEU . 9.0 p30 -71.07 144.3 89.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 143.76 29.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.835 ' HA ' HG22 ' A' ' 78' ' ' VAL . 15.9 m -57.59 -17.93 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -19.12 61.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.03 -32.51 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.125 HG11 HD11 ' A' ' 40' ' ' LEU . 4.2 m -92.09 16.28 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.39 141.42 50.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 81' ' ' GLN . 0.4 OUTLIER 72.31 150.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 80' ' ' SER . 1.4 tt0 84.12 -179.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.5 m -118.24 133.33 55.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.797 HD13 HD11 ' A' ' 60' ' ' LEU . 25.5 mt -93.8 172.26 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 73.1 t -127.43 134.0 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.712 HD21 ' HB ' ' A' ' 58' ' ' VAL . 3.3 tm? -118.91 136.19 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.443 ' H ' HD22 ' A' ' 85' ' ' LEU . 9.9 t0 -120.94 79.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 41.2 p -41.55 157.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.348 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.944 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.83 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.7 pp -101.62 151.58 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -129.37 152.55 48.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 49.0 p90 -151.47 162.99 40.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -101.07 157.52 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.695 HD11 HD13 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -127.36 145.09 50.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -102.72 98.1 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.29 70.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.525 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 75.7 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 3.6 m -119.6 157.28 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.89 145.36 42.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.8 mt -129.85 137.45 56.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.1 p -125.03 130.93 53.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.463 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . . . -172.13 152.0 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -47.46 151.34 1.41 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.711 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.99 -60.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.8 p -40.33 -34.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 4.6 mttt -61.17 155.76 19.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -82.16 -176.62 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.899 HD22 ' CD2' ' A' ' 60' ' ' LEU . 1.2 mt -80.37 -20.26 44.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.542 ' HB2' HD22 ' A' ' 55' ' ' LEU . 19.0 pt20 -89.12 -41.17 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 27.6 mt-10 -67.92 -28.79 67.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 34' ' ' ALA . . . -84.52 -28.09 26.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -91.61 -9.48 43.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.516 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -58.97 -50.86 85.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.0 -3.56 14.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.528 HG23 ' CE1' ' A' ' 51' ' ' HIS . 22.0 mm -100.79 -44.69 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 53' ' ' LEU . 13.7 mt -73.05 -55.04 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.25 -38.46 26.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' N ' ' A' ' 52' ' ' GLY . 1.8 tttm -74.75 -74.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.528 ' CE1' HG23 ' A' ' 47' ' ' ILE . 69.7 m80 -41.39 -29.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.553 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 50' ' ' LYS . . . 99.79 28.54 7.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 83.0 mt -105.53 -171.92 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.4 m -139.24 171.77 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.542 HD22 ' HB2' ' A' ' 41' ' ' GLN . 16.8 mt -87.23 -19.72 27.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -109.32 30.83 6.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -130.25 -46.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 m -87.53 155.37 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.5 t -124.35 110.94 26.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.899 ' CD2' HD22 ' A' ' 40' ' ' LEU . 9.3 tp -97.47 136.27 38.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -177.49 134.25 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.626 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.464 ' HG3' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.444 HD13 HD22 ' A' ' 55' ' ' LEU . 2.0 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -103.48 -20.9 13.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -86.86 152.35 53.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.3 Cg_endo -74.96 136.68 20.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.813 ' HA ' HG22 ' A' ' 78' ' ' VAL . 5.2 m -48.28 -24.25 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 74' ' ' PRO . 80.4 p -50.56 -31.24 15.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 109.992 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.58 -37.22 43.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.931 ' HB ' HD11 ' A' ' 83' ' ' LEU . 24.3 m -96.63 48.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.83 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -132.08 64.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.74 -49.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 62' ' ' ARG . 50.6 mm-40 -104.0 -178.32 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.347 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.4 m -100.57 123.68 45.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.931 HD11 ' HB ' ' A' ' 78' ' ' VAL . 85.1 mt -82.99 169.98 15.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.525 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 38.3 t -126.57 132.51 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.695 HD13 HD11 ' A' ' 21' ' ' LEU . 5.5 tp -110.76 126.5 54.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -111.75 76.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.3 p -51.09 157.34 1.5 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 110.945 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.819 HD11 ' HB ' ' A' ' 75' ' ' VAL . 1.8 pp -101.64 151.02 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 32' ' ' ILE . 19.7 m -133.52 158.21 43.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 34.3 p90 -152.42 166.09 33.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.468 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 14.9 mt-30 -101.27 153.88 19.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.493 HD12 HD11 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -128.72 135.1 48.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -97.77 107.12 19.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mt -73.81 72.58 1.55 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.494 ' CG2' HG13 ' A' ' 84' ' ' VAL . 66.0 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 93.7 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 m -71.18 150.35 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.468 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 13.4 tpp85 -114.07 150.33 34.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 18' ' ' THR . 10.5 mt -132.85 125.73 52.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.413 ' CA ' HG23 ' A' ' 18' ' ' THR . 0.2 OUTLIER -120.0 130.69 54.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.1 159.25 5.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.553 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -52.83 153.14 6.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.359 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.697 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.92 -58.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.4 p -38.18 -56.68 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.1 mttt -40.17 157.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -82.77 -175.96 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.705 HD21 HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -82.42 -27.55 31.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.543 ' HA ' HD22 ' A' ' 55' ' ' LEU . 18.4 pt20 -82.84 -40.85 19.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.454 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 6.6 mm-40 -70.81 -25.31 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.72 -25.08 24.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.98 -12.9 24.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.671 ' HG2' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -56.79 -49.38 94.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.5 Cg_endo -74.99 -3.69 14.3 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.45 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 20.1 mm -101.04 -49.82 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.809 ' CD1' HD23 ' A' ' 55' ' ' LEU . 40.3 mt -66.32 -41.45 89.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.04 -31.11 72.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.87 -10.84 49.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 36.1 m80 -113.25 9.43 18.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.646 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.33 14.81 35.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' LEU . 68.0 mt -91.65 -174.96 4.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.495 ' C ' HD13 ' A' ' 48' ' ' LEU . 1.2 m -143.59 151.94 40.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.931 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.809 HD23 ' CD1' ' A' ' 48' ' ' LEU . 2.3 mt -68.38 -24.94 64.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -103.31 20.57 17.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.401 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 41.6 mm-40 -116.33 -48.97 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.615 ' HB ' HD21 ' A' ' 85' ' ' LEU . 21.0 m -88.58 164.39 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.836 HG12 ' CD2' ' A' ' 61' ' ' HIS . 23.8 t -129.91 116.31 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.433 HD22 HD22 ' A' ' 40' ' ' LEU . 4.8 tp -97.26 141.01 30.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.836 ' CD2' HG12 ' A' ' 59' ' ' VAL . 6.2 p80 178.55 118.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.462 ' HG3' HD23 ' A' ' 83' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.36 -38.85 9.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -67.48 153.88 94.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.4 Cg_endo -74.96 140.57 25.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.46 1.769 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.819 ' HB ' HD11 ' A' ' 17' ' ' ILE . 4.3 m -46.72 -26.18 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' PRO . 91.9 p -54.83 -19.07 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.29 -33.05 29.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.905 ' HB ' HD11 ' A' ' 83' ' ' LEU . 6.2 m -84.37 -5.92 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -52.05 122.13 7.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.3 OUTLIER 84.89 154.39 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 78.13 177.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.466 HG23 ' CB ' ' A' ' 20' ' ' GLN . 32.5 m -116.75 119.33 35.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.426 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.905 HD11 ' HB ' ' A' ' 78' ' ' VAL . 16.3 mt -76.25 173.97 10.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.494 HG13 ' CG2' ' A' ' 24' ' ' VAL . 67.0 t -134.4 126.32 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.615 HD21 ' HB ' ' A' ' 58' ' ' VAL . 2.2 tm? -108.36 139.71 42.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.455 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -127.55 81.35 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.52 HG23 HD12 ' A' ' 85' ' ' LEU . 12.6 p -51.61 157.77 1.74 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 110.959 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.608 HD11 ' HB ' ' A' ' 75' ' ' VAL . 1.8 pp -101.74 161.07 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 32' ' ' ILE . 14.7 m -140.17 158.42 44.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 45.1 p90 -154.56 161.58 41.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.45 ' OE1' ' NE ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -100.64 156.81 17.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.567 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -134.12 141.59 47.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -99.27 109.49 22.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mt -79.14 72.14 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.485 ' CG2' HG13 ' A' ' 84' ' ' VAL . 96.4 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.0 m -101.19 160.17 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.516 ' HD2' HG22 ' A' ' 18' ' ' THR . 15.5 tpp85 -122.31 142.57 50.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.638 ' O ' HG23 ' A' ' 18' ' ' THR . 11.2 mt -125.55 132.1 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.6 p -119.53 132.56 55.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.97 161.4 3.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.69 153.06 32.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.741 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.99 -58.35 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.783 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' PRO . 67.7 p -37.11 -53.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -43.91 165.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -90.07 -176.86 5.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.769 HD11 HG11 ' A' ' 78' ' ' VAL . 1.1 mt -82.61 -27.58 31.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.512 ' HB2' HD22 ' A' ' 55' ' ' LEU . 10.4 pt20 -86.72 -33.98 19.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 14.2 mm-40 -73.54 -27.45 61.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.78 -22.52 25.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.58 -15.24 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.525 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.76 -50.51 86.7 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.4 Cg_endo -74.97 -2.93 13.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.527 HG23 ' CE1' ' A' ' 51' ' ' HIS . 17.6 mm -100.55 -49.78 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.519 HD21 HG21 ' A' ' 58' ' ' VAL . 24.0 mt -60.79 -56.85 16.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.47 -49.65 44.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -36.37 81.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.527 ' CE1' HG23 ' A' ' 47' ' ' ILE . 49.6 m80 -88.22 7.76 30.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 60.09 23.14 59.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.8 mt -98.91 -167.93 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.511 ' C ' HD13 ' A' ' 48' ' ' LEU . 12.8 m -144.39 172.92 12.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 41' ' ' GLN . 19.1 mt -86.06 -27.32 24.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -100.11 30.94 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -129.24 -48.64 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.739 ' HB ' HD11 ' A' ' 85' ' ' LEU . 7.2 m -90.9 140.52 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.413 ' O ' HD22 ' A' ' 85' ' ' LEU . 57.3 t -112.83 116.89 53.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 61' ' ' HIS . 1.5 tt -91.08 138.13 31.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.673 ' N ' HD23 ' A' ' 60' ' ' LEU . 23.7 p80 -174.92 114.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.591 ' HB3' HD23 ' A' ' 83' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.422 ' C ' ' N ' ' A' ' 73' ' ' ASN . 2.0 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.402 ' CD ' ' OD1' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -41.36 -28.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.422 ' N ' ' C ' ' A' ' 71' ' ' LEU . 7.6 m-20 -71.35 147.44 92.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 139.68 24.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.421 1.748 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.753 ' HA ' HG22 ' A' ' 78' ' ' VAL . 14.8 m -54.35 -24.17 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -51.8 -24.92 6.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.019 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.75 -25.92 26.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.036 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.769 HG11 HD11 ' A' ' 40' ' ' LEU . 3.6 m -108.33 45.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.22 44.91 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -174.81 161.8 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.962 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 60.93 170.01 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 54.5 m -102.29 126.32 49.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.591 HD23 ' HB3' ' A' ' 62' ' ' ARG . 21.6 mt -85.13 176.14 8.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.485 HG13 ' CG2' ' A' ' 24' ' ' VAL . 58.1 t -133.38 124.52 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.739 HD11 ' HB ' ' A' ' 58' ' ' VAL . 1.6 tm? -104.61 143.26 33.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.731 ' N ' HD13 ' A' ' 85' ' ' LEU . 7.1 t0 -124.58 91.07 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.7 p -64.59 157.24 74.4 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 111.029 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.617 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.9 pp -105.89 154.33 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.424 HG23 ' HB3' ' A' ' 33' ' ' SER . 2.6 m -128.1 152.59 47.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 48.8 p90 -151.33 161.88 41.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 15.4 mt-30 -101.2 157.78 16.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -132.52 142.26 49.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.1 tt0 -100.01 112.53 24.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -84.26 70.72 10.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.228 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.56 ' CG2' HG13 ' A' ' 84' ' ' VAL . 84.8 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.0 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.4 OUTLIER -121.98 164.15 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -118.83 142.19 47.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.587 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 6.3 mt -129.08 136.61 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.424 ' HB3' HG23 ' A' ' 18' ' ' THR . 71.7 p -123.51 134.76 53.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.74 160.43 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.503 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -55.36 151.52 19.19 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.738 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.97 -57.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' PRO . 38.5 p -38.14 -52.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -43.17 164.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -89.4 -178.47 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.05 -24.45 32.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.469 ' HB2' HD22 ' A' ' 55' ' ' LEU . 14.8 pt20 -87.12 -36.08 18.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -77.61 -24.86 49.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.03 -27.42 26.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.47 -15.86 25.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.544 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -52.08 -49.37 84.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.05 -3.28 13.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.536 HG23 ' CE1' ' A' ' 51' ' ' HIS . 15.0 mm -100.72 -46.54 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 53' ' ' LEU . 7.9 mt -67.35 -34.64 77.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.53 -22.47 61.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.33 -8.48 32.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.536 ' CE1' HG23 ' A' ' 47' ' ' ILE . 47.4 m80 -116.95 9.45 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.613 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.54 18.35 51.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' LEU . 48.8 mt -95.2 -167.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.34 178.98 8.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 41' ' ' GLN . 12.5 mt -91.69 -31.45 15.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.22 36.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -135.12 -48.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.84 ' HB ' HD21 ' A' ' 85' ' ' LEU . 17.4 m -92.53 167.45 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.1 t -131.7 116.83 32.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -92.69 138.65 31.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -173.49 142.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.078 . . . . 0.0 109.585 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.4 ' C ' ' N ' ' A' ' 73' ' ' ASN . 1.8 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -44.55 -26.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 71' ' ' LEU . 11.3 m-20 -74.9 148.39 84.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 144.84 30.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.738 HG23 ' HA ' ' A' ' 36' ' ' PRO . 13.3 m -56.61 -21.79 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.32 -20.49 43.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.68 -9.67 53.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.498 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 3.6 m -127.42 46.06 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.7 133.95 36.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.66 -61.57 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -45.35 153.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.0 m -94.17 147.0 23.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' GLU . 16.6 mt -118.65 159.16 24.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.56 HG13 ' CG2' ' A' ' 24' ' ' VAL . 81.0 t -118.46 118.7 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.84 HD21 ' HB ' ' A' ' 58' ' ' VAL . 3.4 tm? -101.69 137.11 40.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.568 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -124.32 94.84 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.4 HG23 ' CD1' ' A' ' 85' ' ' LEU . 25.5 p -62.94 157.62 59.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 110.997 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m 64.58 119.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 110.003 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.1 p -136.43 167.65 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.14 -172.27 37.17 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.18 161.95 12.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.95 167.31 17.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.59 -175.27 28.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.85 165.7 26.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -120.76 163.26 18.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -128.58 104.19 7.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.24 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.9 m -132.51 161.23 41.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 137.27 58.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.68 111.8 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -96.5 81.49 3.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -168.98 161.17 10.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -51.89 125.89 16.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.983 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.7 pp -103.48 165.68 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 32' ' ' ILE . 24.6 m -142.28 161.22 38.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 41.9 p90 -156.75 164.25 38.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -101.26 159.96 14.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.287 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.671 HD11 HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -132.08 138.69 48.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.452 ' HB3' HG13 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -93.93 117.86 30.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.4 mt -88.99 68.98 8.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.501 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 89.8 t -39.97 -59.11 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.7 -42.84 53.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.508 HD22 ' H ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -92.49 -153.37 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.771 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.508 ' H ' HD22 ' A' ' 26' ' ' LEU . 8.2 tp10 -150.83 74.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 179.08 149.2 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -95.99 123.44 48.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.4 m -104.91 160.01 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 32' ' ' ILE . 9.4 ttt180 -118.68 145.71 45.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.603 HD11 HD12 ' A' ' 21' ' ' LEU . 8.1 mt -131.53 125.04 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.414 ' CA ' HG23 ' A' ' 18' ' ' THR . 91.2 p -116.64 138.72 51.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.14 162.57 1.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.52 152.51 33.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.742 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -74.99 -55.36 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.771 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.4 p -38.13 -53.96 1.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.439 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER -44.53 166.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -93.2 -174.09 3.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.059 HD11 HG11 ' A' ' 78' ' ' VAL . 1.4 mt -85.14 -22.37 28.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.508 ' HB2' HD22 ' A' ' 55' ' ' LEU . 8.6 pt20 -88.63 -37.1 15.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.251 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.469 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 5.1 mm-40 -75.26 -27.5 59.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.03 -25.84 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -91.76 -14.42 29.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.517 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.4 OUTLIER -52.33 -50.7 78.13 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.06 -3.15 13.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 47' ' ' ILE . 21.9 mm -99.97 -42.79 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 54' ' ' SER . 16.3 mt -71.91 -39.87 69.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.91 -15.44 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -102.57 -5.98 23.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -121.28 8.73 10.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.587 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.25 17.47 61.62 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.557 1.161 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' LEU . 14.0 mt -97.06 -164.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.64 ' C ' HD13 ' A' ' 48' ' ' LEU . 58.2 m -156.83 170.73 21.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.508 HD22 ' HB2' ' A' ' 41' ' ' GLN . 12.6 mt -81.24 -17.15 50.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -107.61 15.23 24.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -114.12 -47.7 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.9 m -93.59 168.11 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 92.5 t -140.79 126.63 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.668 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -97.93 139.76 33.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.668 ' N ' HD13 ' A' ' 60' ' ' LEU . 3.8 p80 -176.29 119.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.572 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 -49.14 161.66 0.43 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 112.49 3.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.541 1.811 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.37 53.86 1.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.103 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -119.69 -175.75 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -113.28 -44.3 3.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -124.56 163.88 33.99 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.467 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.01 128.35 11.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 45.0 mtp -55.06 156.53 3.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.28 123.62 34.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.404 ' C ' ' N ' ' A' ' 73' ' ' ASN . 1.9 mt -66.79 -32.89 74.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -44.42 -26.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 71' ' ' LEU . 8.2 m-20 -70.94 148.44 94.55 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.92 27.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.742 HG23 ' HA ' ' A' ' 36' ' ' PRO . 8.1 m -57.36 -19.51 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -15.81 30.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -102.01 -5.53 24.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.059 HG11 HD11 ' A' ' 40' ' ' LEU . 2.1 m -121.19 29.86 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.983 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -116.3 70.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.07 -67.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.97 178.12 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.3 m -93.46 133.24 36.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.611 ' HB3' HD11 ' A' ' 60' ' ' LEU . 2.6 mt -93.89 174.68 7.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.501 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 53.2 t -127.23 141.6 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.671 HD13 HD11 ' A' ' 21' ' ' LEU . 4.5 tp -112.65 127.54 56.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -110.95 81.55 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.7 p -58.56 158.77 14.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 155.03 42.98 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.531 1.806 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.47 4.28 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 169.03 125.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -164.24 122.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -114.34 -56.08 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.7 mtt -79.95 92.27 5.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.3 p -166.08 161.41 17.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.92 147.84 40.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 61.04 170.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.24 108.67 1.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.11 96.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.69 154.21 39.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.004 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -133.58 157.8 22.94 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 179.5 6.03 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.546 1.814 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.62 160.54 28.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 110.055 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p -160.17 170.15 21.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.004 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.65 168.04 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.68 153.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.88 160.41 33.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.63 166.34 26.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 0.747 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.6 163.0 29.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.058 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.15 -138.77 14.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -58.8 128.11 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -148.85 176.65 10.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.23 78.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.569 ' O ' HG12 ' A' ' 11' ' ' VAL . 46.9 t -124.53 37.75 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.7 mmm-85 -142.18 121.41 13.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tp -169.49 63.17 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 61.91 93.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -163.84 148.41 10.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -160.96 125.75 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.758 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.6 pp -101.91 151.27 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 32' ' ' ILE . 8.9 m -129.43 157.98 40.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 43.8 p90 -154.71 163.29 40.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.459 ' CG ' ' HD3' ' A' ' 31' ' ' ARG . 6.3 mt-30 -102.32 156.16 17.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.467 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -128.9 152.06 48.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -112.27 95.17 5.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.7 73.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.511 HG23 HG13 ' A' ' 84' ' ' VAL . 41.8 t -48.33 -24.38 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.73 -66.0 1.38 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -52.82 -35.82 57.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.8 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 4.8 mt-10 82.69 49.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -166.95 157.12 11.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.7 t -90.51 151.45 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -144.44 163.35 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HD3' ' CG ' ' A' ' 20' ' ' GLN . 4.8 tpp180 -122.45 145.41 48.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.579 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.8 mt -130.43 134.23 62.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.457 ' CA ' HG23 ' A' ' 18' ' ' THR . 0.7 OUTLIER -123.14 129.8 51.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.973 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.3 156.74 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.91 151.08 3.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.729 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.94 -58.23 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.528 1.804 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' PRO . 75.5 p -38.28 -50.97 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.425 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.2 mttm -44.17 166.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 74' ' ' PRO . 9.4 mtm180 -94.03 -179.1 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.819 HD13 HD21 ' A' ' 60' ' ' LEU . 3.0 mt -79.92 -24.47 41.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' N ' ' HB3' ' A' ' 71' ' ' LEU . 6.3 pt20 -85.8 -38.76 17.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.254 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 1.9 mm-40 -75.12 -24.7 58.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.24 -24.57 25.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.41 -12.5 24.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.525 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.98 -50.43 88.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.0 Cg_endo -75.07 -3.05 13.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.452 1.764 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.45 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 17.0 mm -100.58 -48.79 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.771 ' CD1' HD23 ' A' ' 55' ' ' LEU . 35.5 mt -65.47 -44.81 86.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.04 -36.97 80.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -81.32 -11.65 59.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 31.3 m80 -112.46 7.76 19.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.562 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 59.71 20.53 52.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.541 1.151 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' LEU . 32.4 mt -94.61 -170.94 2.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.3 m -145.67 162.15 38.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.771 HD23 ' CD1' ' A' ' 48' ' ' LEU . 25.7 mt -78.16 -32.21 50.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -96.16 37.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -137.28 -54.69 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.661 ' HB ' HD11 ' A' ' 85' ' ' LEU . 27.0 m -83.94 140.48 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 85.0 t -107.46 109.23 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.958 HD11 HD13 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -92.14 133.41 35.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -176.03 139.9 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.644 ' HG3' HD23 ' A' ' 83' ' ' LEU . 11.9 mtt180 -59.5 167.96 2.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.542 ' HB3' HG21 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.99 139.8 24.72 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 43.33 68.54 0.79 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.041 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -107.49 -97.27 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.36 -39.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -149.01 168.28 11.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.02 127.22 10.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.8 mtm -67.98 154.57 41.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -92.2 122.06 34.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.55 HD23 HD22 ' A' ' 60' ' ' LEU . 2.7 mt -56.44 -19.69 16.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.58 -30.69 13.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -68.36 147.16 98.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 18.3 Cg_endo -74.99 146.6 32.89 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.812 ' HA ' HG22 ' A' ' 78' ' ' VAL . 17.1 m -62.78 -16.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.0 p -62.42 -13.88 34.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.93 -33.09 12.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.812 HG22 ' HA ' ' A' ' 75' ' ' VAL . 27.3 m -94.98 39.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.469 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -119.58 71.27 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.02 -66.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -89.2 171.25 9.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.4 m -93.04 130.79 38.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.397 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.958 HD13 HD11 ' A' ' 60' ' ' LEU . 69.8 mt -84.95 174.19 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.542 HG21 ' HB3' ' A' ' 63' ' ' PRO . 70.0 t -135.85 117.78 20.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.712 HD13 ' N ' ' A' ' 86' ' ' ASP . 1.5 tm? -99.68 140.5 33.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.712 ' N ' HD13 ' A' ' 85' ' ' LEU . 3.9 t0 -125.13 80.68 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.0 p -48.5 157.11 0.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 160.61 39.91 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.799 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -75.02 56.19 4.19 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 89' ' ' PRO . 1.6 m-20 160.49 126.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -151.2 -59.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt 55.55 99.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -151.59 155.55 38.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.84 99.77 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.82 75.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.0 146.86 27.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -171.84 111.56 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.88 163.27 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 95.9 p -129.08 142.99 50.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.36 97.35 0.94 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 168.93 23.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.15 160.79 37.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.35 170.72 8.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.152 . . . . 0.0 111.022 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.95 160.36 21.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 109.998 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 179.54 166.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.96 128.26 1.58 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -163.15 115.47 1.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.975 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.53 146.1 3.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.89 141.91 3.29 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -148.34 165.84 29.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -122.4 176.15 6.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.597 ' O ' HG22 ' A' ' 11' ' ' VAL . 0.0 OUTLIER 176.43 72.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 10' ' ' GLU . 16.8 m 47.06 -171.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.94 139.62 31.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -158.37 -57.23 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -179.13 109.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -160.47 115.53 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -140.35 129.78 24.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.695 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.7 pp -103.98 155.37 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 33' ' ' SER . 2.6 m -134.8 152.93 52.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.588 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 45.5 p90 -153.89 163.99 39.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.09 160.86 14.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.571 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -131.0 140.48 50.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.532 ' HB3' HG13 ' A' ' 84' ' ' VAL . 1.4 tt0 -95.3 112.63 24.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 26' ' ' LEU . 5.2 mt -84.46 69.49 10.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.454 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 84.5 t -39.24 -63.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -49.78 -38.0 29.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.105 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.431 HD22 ' H ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -96.83 -155.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 0.783 . . . . 0.0 109.351 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' H ' HD22 ' A' ' 26' ' ' LEU . 1.2 pt-20 -150.71 67.15 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -170.58 142.29 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.7 t -90.72 115.34 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.14 157.05 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.415 ' HD3' HG21 ' A' ' 18' ' ' THR . 32.9 ttm180 -116.53 146.1 42.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 7.9 mt -131.01 129.34 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.556 ' HB3' HG23 ' A' ' 18' ' ' THR . 78.5 p -121.21 135.85 55.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.44 160.42 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.488 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -51.87 150.39 7.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.715 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.97 -59.15 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.2 p -37.98 -48.97 1.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.2 mttm -45.27 168.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -94.0 -176.46 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.746 HD11 HG11 ' A' ' 78' ' ' VAL . 1.7 mt -82.85 -26.85 31.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.456 ' HB2' HD22 ' A' ' 55' ' ' LEU . 11.6 pt20 -85.71 -37.69 19.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.47 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.0 mm-40 -72.95 -24.72 60.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.93 -23.24 25.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -94.82 -18.82 20.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.535 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -52.05 -49.83 82.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.0 -2.93 13.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.483 HG23 ' CE1' ' A' ' 51' ' ' HIS . 21.6 mm -100.7 -49.73 10.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.613 HD13 ' C ' ' A' ' 54' ' ' SER . 18.2 mt -61.02 -47.61 85.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.38 73.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.21 -3.1 58.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.483 ' CE1' HG23 ' A' ' 47' ' ' ILE . 41.4 m80 -123.63 7.39 8.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.595 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 62.01 23.8 64.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.69 -163.83 1.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 0.752 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.613 ' C ' HD13 ' A' ' 48' ' ' LEU . 5.0 m -155.57 173.84 16.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.033 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 41' ' ' GLN . 14.8 mt -85.02 -26.53 26.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -98.57 37.91 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -139.54 -55.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.909 ' HB ' HD11 ' A' ' 85' ' ' LEU . 10.8 m -83.75 138.22 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.548 HG13 ' HB3' ' A' ' 68' ' ' PRO . 21.1 t -111.97 109.07 27.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.682 HD11 HD13 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -91.5 137.3 32.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 68' ' ' PRO . 17.9 p80 -169.17 115.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.622 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.02 159.68 0.26 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 103.97 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.6 -51.31 0.84 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -46.48 161.84 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.774 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -97.22 -73.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.17 165.06 47.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.548 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -75.03 127.23 10.49 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.11 173.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -112.49 110.6 20.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.413 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.1 mt -54.89 -25.12 26.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -49.42 -23.87 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -74.65 147.67 84.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.33 25.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.837 ' HA ' HG22 ' A' ' 78' ' ' VAL . 12.4 m -55.34 -19.61 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.2 p -55.69 -33.85 64.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.54 -38.98 54.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.837 HG22 ' HA ' ' A' ' 75' ' ' VAL . 17.7 m -92.51 46.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.609 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -125.99 78.14 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.54 -59.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.987 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -96.53 168.79 10.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.6 m -88.7 129.71 35.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.682 HD13 HD11 ' A' ' 60' ' ' LEU . 23.4 mt -86.41 171.8 10.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.532 HG13 ' HB3' ' A' ' 22' ' ' GLU . 46.4 t -126.79 139.94 50.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.909 HD11 ' HB ' ' A' ' 58' ' ' VAL . 0.6 OUTLIER -122.18 139.59 53.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.784 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -125.38 83.46 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.4 p -55.29 156.85 7.26 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.85 42.08 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 56.47 4.25 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.459 1.768 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 t0 174.7 99.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -152.23 -72.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.91 129.92 4.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 mtt -55.8 -47.31 77.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.33 81.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.964 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.24 122.9 9.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -94.51 162.29 13.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -158.91 142.03 14.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.9 m 55.93 85.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.9 -179.04 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.77 101.77 1.17 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 160.95 39.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.8 m 43.91 81.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.997 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.8 p -130.11 96.98 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -160.07 168.58 25.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 0.761 . . . . 0.0 109.952 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 t -152.42 161.1 43.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 110.029 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.22 167.51 14.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 m 61.08 158.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 p -179.56 161.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.033 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.2 179.7 48.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.35 160.26 15.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.545 ' HB2' HG21 ' A' ' 37' ' ' THR . 1.6 mt-30 -127.12 171.58 11.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 176.6 123.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.499 HG23 ' H ' ' A' ' 12' ' ' ARG . 15.9 m -141.63 -55.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.499 ' H ' HG23 ' A' ' 11' ' ' VAL . 14.6 mmt-85 -135.75 87.67 2.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 53.32 90.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -124.89 94.21 4.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -130.91 155.15 47.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.03 124.94 1.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 1.04 HD13 ' HB2' ' A' ' 79' ' ' ALA . 2.0 pp -103.03 160.2 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.441 HG23 ' HB3' ' A' ' 33' ' ' SER . 3.1 m -135.93 154.14 51.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 51.2 p90 -153.89 163.64 39.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -101.18 162.87 12.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.552 HD12 HD11 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -134.7 146.01 49.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.9 tt0 -103.29 111.92 24.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mt -84.14 73.39 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 91.4 t -47.95 130.2 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.77 52.02 2.91 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.453 1.096 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.966 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER 171.76 -33.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 109.256 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 70.53 64.6 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.608 ' HB2' HD11 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -144.47 128.81 17.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.4 t -99.83 120.14 48.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.1 m -108.88 160.18 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HD3' HG21 ' A' ' 18' ' ' THR . 0.3 OUTLIER -117.19 142.76 46.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.584 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 9.5 mt -128.45 133.41 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.441 ' HB3' HG23 ' A' ' 18' ' ' THR . 77.9 p -122.31 135.86 54.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.4 161.66 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -54.61 152.01 13.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.698 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -75.01 -56.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.545 HG21 ' HB2' ' A' ' 9' ' ' GLN . 21.2 p -38.54 -57.15 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.469 ' CE ' ' HE3' ' A' ' 35' ' ' LYS . 1.2 tttm -41.12 160.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 74' ' ' PRO . 37.8 mtt180 -90.55 -175.85 4.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.947 HD11 HG11 ' A' ' 78' ' ' VAL . 3.7 mt -78.04 -21.15 51.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -87.5 -40.38 14.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 30.9 mt-10 -73.48 -24.47 60.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.35 -28.26 21.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.97 -8.73 39.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.667 ' HG2' HD11 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -62.31 -49.52 83.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.08 -4.53 15.52 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.463 HG23 ' CE1' ' A' ' 51' ' ' HIS . 19.9 mm -101.46 -56.24 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.612 ' CD1' HD23 ' A' ' 55' ' ' LEU . 64.6 mt -58.83 -43.31 90.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.26 96.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -79.52 -4.13 49.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.463 ' CE1' HG23 ' A' ' 47' ' ' ILE . 26.4 m80 -115.93 10.38 15.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.618 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.63 12.92 36.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' LEU . 44.7 mt -90.29 -163.52 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 0.725 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -158.07 161.29 38.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.667 HD11 ' HG2' ' A' ' 45' ' ' GLN . 15.6 mt -76.69 -33.32 58.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.27 36.16 1.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 57' ' ' GLN . 11.1 mm-40 -135.52 -54.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.698 ' HB ' HD11 ' A' ' 85' ' ' LEU . 9.5 m -82.37 173.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 17.2 t -136.7 133.81 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -111.45 140.81 45.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.703 ' N ' HD13 ' A' ' 60' ' ' LEU . 15.2 p80 -175.45 114.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.597 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.63 ' HG2' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -48.03 157.42 0.64 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 89.74 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.438 1.757 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.98 -47.62 0.63 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -51.71 166.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' NZ ' ' OE1' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -126.06 59.28 1.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.402 ' OE1' ' NZ ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER 172.4 158.14 0.25 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.3 Cg_endo -74.97 106.17 2.22 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.447 1.762 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -58.35 95.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -40.27 150.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.67 36.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -94.55 -31.15 14.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -73.93 149.24 87.58 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 18.3 Cg_endo -75.02 141.83 27.05 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.881 ' HA ' HG22 ' A' ' 78' ' ' VAL . 9.1 m -51.45 -22.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.8 p -52.81 -32.55 44.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -79.46 -39.45 32.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.947 HG11 HD11 ' A' ' 40' ' ' LEU . 5.2 m -89.63 43.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.04 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -127.58 56.29 1.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 t -150.47 -57.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.045 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.31 -173.83 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.7 m -96.15 139.82 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.436 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.829 HD11 ' HB ' ' A' ' 78' ' ' VAL . 97.7 mt -97.76 168.74 10.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.446 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 58.2 t -126.22 135.39 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.867 HD13 ' N ' ' A' ' 86' ' ' ASP . 1.0 OUTLIER -114.9 137.8 51.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.867 ' N ' HD13 ' A' ' 85' ' ' LEU . 5.9 t70 -122.9 90.81 3.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.5 p -57.43 157.02 14.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.397 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.3 38.96 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.62 4.33 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 1.6 p-10 175.13 -47.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 90' ' ' ASP . . . 69.5 -65.66 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 90' ' ' ASP . 6.8 tptt -148.94 -61.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -38.5 134.23 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.51 177.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -42.46 160.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 60.51 -174.27 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.8 143.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.1 t 69.7 -70.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 m 73.48 -170.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 71.62 82.63 0.26 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -49.12 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.471 1.774 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.8 p -166.55 172.69 10.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.9 t -66.78 138.86 57.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.985 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.13 -58.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 p 56.68 167.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.965 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.36 155.78 9.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.6 p -177.93 166.03 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 110.007 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.18 170.05 3.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.9 136.75 5.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -169.89 123.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -178.09 166.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -131.7 146.93 52.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.0 m -141.26 169.4 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.42 120.37 1.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 60.07 169.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -167.16 116.66 0.85 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -70.73 162.74 28.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -141.56 126.97 18.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.691 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.7 pp -98.57 155.16 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 4.3 m -129.87 155.12 46.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 46.8 p90 -152.9 161.02 43.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 1.6 mt-30 -101.28 158.53 15.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.2 147.46 52.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.61 ' HB3' HG13 ' A' ' 84' ' ' VAL . 1.4 tt0 -105.2 97.6 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' LEU . 17.9 mt -70.75 69.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.623 HG23 HG13 ' A' ' 84' ' ' VAL . 25.4 t -39.62 -36.66 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.27 -46.37 63.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.645 HD21 ' CD ' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -134.35 129.67 35.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.3 99.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.645 ' CD ' HD21 ' A' ' 26' ' ' LEU . 7.9 ptm180 179.94 143.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.6 t -106.85 126.68 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -111.25 164.92 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.421 ' HD2' HG22 ' A' ' 18' ' ' THR . 12.6 tpp85 -127.88 139.47 52.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 11.1 mt -124.39 137.91 55.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.48 ' CA ' HG23 ' A' ' 18' ' ' THR . 0.8 OUTLIER -125.54 124.45 41.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.46 162.41 24.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -55.88 150.07 30.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.742 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.97 -56.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.523 1.801 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 36' ' ' PRO . 7.7 p -38.05 -51.23 1.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -45.83 169.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -94.64 -177.43 4.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.575 HD11 HG11 ' A' ' 78' ' ' VAL . 1.2 mt -81.61 -28.12 33.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -83.54 -37.69 22.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.485 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -73.78 -24.89 59.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.48 -24.04 25.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.02 -14.67 24.12 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.523 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.71 -50.65 85.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.5 Cg_endo -74.99 -3.22 13.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 18.3 mm -100.27 -46.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 53' ' ' LEU . 7.9 mt -65.81 -47.03 76.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.45 76.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.71 -16.32 54.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 35.9 m80 -108.73 7.9 26.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 63.1 11.47 38.87 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' LEU . 16.2 mt -87.6 -168.86 2.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 0.764 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.456 ' HB2' ' CG ' ' A' ' 57' ' ' GLN . 67.9 m -153.03 166.52 32.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.1 mt -79.92 -28.76 39.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -100.62 30.56 3.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 69.1 mm-40 -131.76 -47.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.855 ' HB ' HD21 ' A' ' 85' ' ' LEU . 3.2 m -94.84 148.62 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 99.2 t -117.54 130.79 71.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.526 HD13 ' H ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -106.4 146.75 30.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.526 ' H ' HD13 ' A' ' 60' ' ' LEU . 26.1 p80 -175.27 116.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -46.22 161.26 0.27 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.347 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HB3' HG21 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.01 101.88 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.55 -46.38 1.08 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -54.29 164.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.16 -70.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.85 160.15 48.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.254 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.38 24.15 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.8 172.1 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -106.48 122.87 47.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.468 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.4 mt -73.65 -27.91 61.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -52.12 -20.86 2.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -75.89 149.52 82.98 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.06 22.54 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.772 ' HA ' HG22 ' A' ' 78' ' ' VAL . 15.6 m -55.91 -20.23 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.0 t -54.51 -26.94 34.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.964 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -39.34 23.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.772 HG22 ' HA ' ' A' ' 75' ' ' VAL . 34.3 m -92.53 45.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.66 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -122.33 72.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.95 -60.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.012 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.99 165.43 15.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.3 m -93.59 135.07 35.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.165 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.501 HD11 ' HB ' ' A' ' 78' ' ' VAL . 4.8 mt -96.78 165.48 12.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.623 HG13 HG23 ' A' ' 24' ' ' VAL . 47.2 t -124.77 123.25 65.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.855 HD21 ' HB ' ' A' ' 58' ' ' VAL . 1.0 OUTLIER -103.81 137.28 42.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.581 ' H ' HD22 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -121.41 95.43 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.555 ' CG2' HD11 ' A' ' 85' ' ' LEU . 39.9 p -58.64 158.84 14.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.68 15.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.479 1.778 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.86 4.07 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.8 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -172.62 -170.87 0.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 54.86 97.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -90.29 129.05 36.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.19 173.4 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.29 100.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.74 172.97 6.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.53 177.36 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.74 138.8 19.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -179.01 157.68 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.6 p -47.04 114.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -124.33 157.32 18.65 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -179.05 4.6 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.449 1.763 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.3 p -153.77 168.09 27.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.7 p -111.67 156.88 21.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t 61.42 143.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 0.766 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -164.2 -58.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.12 133.48 2.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.57 109.81 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.979 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.02 148.29 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.05 95.27 1.58 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.28 105.56 7.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -174.72 54.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 73.44 173.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.588 HG12 ' HG2' ' A' ' 12' ' ' ARG . 6.6 t 62.76 148.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.588 ' HG2' HG12 ' A' ' 11' ' ' VAL . 0.5 OUTLIER 61.98 156.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.84 -63.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 59.02 88.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -112.98 158.51 20.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.3 mtm-85 -40.8 127.7 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.782 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.6 pp -101.67 152.17 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 33' ' ' SER . 3.2 m -128.78 153.59 47.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 47.3 p90 -153.72 163.81 39.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -101.42 164.17 11.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.592 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -140.25 136.07 32.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.9 tt0 -92.07 116.19 28.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.65 74.11 8.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.435 ' CG2' HG13 ' A' ' 84' ' ' VAL . 48.0 t -50.82 113.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.245 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.88 -85.64 0.23 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.924 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -63.38 -15.4 57.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.781 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 65.08 97.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.738 ' HD2' HD21 ' A' ' 26' ' ' LEU . 2.2 ptm85 179.87 163.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.0 t -118.96 130.24 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -116.24 166.36 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -125.23 140.95 52.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.585 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.5 mt -127.4 132.82 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.499 ' HB3' HG23 ' A' ' 18' ' ' THR . 39.7 p -121.39 132.4 54.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.033 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -174.61 151.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.515 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.58 152.34 0.7 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.687 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -75.03 -58.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 36' ' ' PRO . 67.9 p -38.5 -51.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.4 mttm -43.62 164.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.9 mtm-85 -91.79 -177.34 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.848 HD21 HG21 ' A' ' 78' ' ' VAL . 1.2 mt -81.33 -23.98 37.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 42' ' ' GLU . 8.1 pt20 -84.89 -42.71 14.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.9 mm-40 -71.96 -24.41 61.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.255 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.72 -25.28 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.83 -9.78 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.556 ' HG2' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -58.32 -49.04 95.77 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.339 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.96 -4.22 15.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.447 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 20.9 mm -100.99 -49.54 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.812 ' CD1' HD23 ' A' ' 55' ' ' LEU . 41.0 mt -68.69 -25.52 64.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.14 -36.14 40.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.66 1.08 53.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 28.7 m80 -120.72 5.61 10.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.64 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.53 15.32 46.13 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' LEU . 14.4 mt -89.35 -165.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.784 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.1 m -151.71 156.13 39.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.812 HD23 ' CD1' ' A' ' 48' ' ' LEU . 22.1 mt -71.15 -23.38 62.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -103.9 36.09 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -134.69 -46.97 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.54 ' HB ' HD11 ' A' ' 85' ' ' LEU . 10.1 m -89.03 145.12 7.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.544 HG13 ' HB3' ' A' ' 68' ' ' PRO . 47.1 t -117.51 114.56 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.518 ' HG ' HD23 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -93.38 140.72 29.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.42 ' HB3' ' HA ' ' A' ' 68' ' ' PRO . 7.0 p80 -177.7 117.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.48 ' HG3' HD23 ' A' ' 83' ' ' LEU . 2.7 mtp180 -53.08 162.88 0.97 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 88.71 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.9 48.17 0.37 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -114.07 -176.08 2.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 0.767 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -104.92 -68.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -108.88 161.09 24.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.544 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.4 Cg_endo -75.01 139.08 23.83 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.9 mtt -47.57 156.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.45 ' C ' ' N ' ' A' ' 72' ' ' GLU . 45.0 m-20 -110.75 19.42 18.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.433 ' CB ' ' HB3' ' A' ' 41' ' ' GLN . 7.2 mt 40.27 29.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' N ' ' C ' ' A' ' 70' ' ' ASP . 2.1 mm-40 -102.2 -22.99 14.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -83.55 151.54 62.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.3 Cg_endo -74.99 135.58 19.28 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.839 ' HA ' HG22 ' A' ' 78' ' ' VAL . 11.7 m -46.51 -25.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 74' ' ' PRO . 54.8 p -51.52 -28.76 14.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.85 -29.38 32.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.955 ' HB ' HD11 ' A' ' 83' ' ' LEU . 19.6 m -106.33 51.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.782 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -134.08 70.7 1.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 t -176.2 -68.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.015 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -82.61 170.08 15.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.4 m -86.27 131.53 34.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.955 HD11 ' HB ' ' A' ' 78' ' ' VAL . 73.8 mt -94.1 159.04 15.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.435 HG13 ' CG2' ' A' ' 24' ' ' VAL . 69.5 t -122.43 129.78 75.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.781 HD13 ' N ' ' A' ' 86' ' ' ASP . 1.7 tm? -115.27 144.5 43.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.781 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -129.82 86.96 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.348 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.8 p -56.66 157.64 9.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 110.408 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 166.25 29.56 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.788 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 162.73 36.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 t0 48.15 93.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -161.75 142.15 10.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.84 146.01 27.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -167.17 -53.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.9 t -168.8 -57.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.06 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -176.03 162.78 2.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -132.5 -61.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? 42.54 87.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.6 t -146.33 157.76 43.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.03 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.42 147.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.06 -85.23 1.79 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.77 8.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -168.67 168.95 10.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.954 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.8 p -53.03 167.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.99 129.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 110.034 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -165.48 170.73 14.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 110.047 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.49 -156.78 7.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -173.36 149.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.0 p -168.12 164.56 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.68 -141.46 5.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.27 168.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -51.32 165.43 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -130.05 117.63 20.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.2 t -127.95 -65.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' GLU . 43.9 mmt-85 -62.32 -49.5 75.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 14' ' ' GLU . 0.3 OUTLIER 64.52 -78.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 3.8 tt0 83.1 -50.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -40.51 159.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.32 132.01 13.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.677 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.8 pp -101.15 148.91 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 32' ' ' ILE . 6.9 m -127.43 157.67 39.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 47.7 p90 -154.84 163.27 40.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -101.3 154.13 19.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -127.59 146.89 50.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -105.02 111.27 23.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 mt -80.57 76.76 7.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.506 ' CG2' HG13 ' A' ' 84' ' ' VAL . 80.5 t -54.02 114.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.13 -40.45 2.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.01 -27.18 30.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 67.97 71.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.43 ' CB ' ' CZ ' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -173.07 160.52 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.4 t -116.37 124.65 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.9 OUTLIER -109.94 163.3 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -118.96 147.4 44.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.593 ' O ' HG23 ' A' ' 18' ' ' THR . 10.1 mt -132.53 136.1 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 p -122.31 133.77 54.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.038 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -175.88 156.3 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -52.19 151.73 6.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.711 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -75.05 -58.75 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' PRO . 8.3 p -38.45 -49.69 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.391 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.468 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.4 mttm -44.56 164.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.3 mtm180 -91.86 179.31 5.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.887 HD11 HG11 ' A' ' 78' ' ' VAL . 1.2 mt -77.31 -25.85 51.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.48 ' HB2' HD22 ' A' ' 55' ' ' LEU . 12.2 pt20 -85.61 -41.03 15.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.6 mm-40 -71.88 -25.41 61.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.63 -25.68 24.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.99 -15.32 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.536 ' HG2' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -54.0 -49.88 87.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -74.98 -3.17 13.53 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.469 1.773 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.494 HD13 ' HA ' ' A' ' 47' ' ' ILE . 14.9 mm -100.53 -46.28 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 53' ' ' LEU . 15.7 mt -67.82 -37.66 82.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.16 -33.56 74.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 1.06 55.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 29.0 m80 -125.45 8.13 7.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.592 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.52 19.73 42.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' LEU . 66.5 mt -93.59 -168.95 2.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.37 163.71 38.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.536 HD11 ' HG2' ' A' ' 45' ' ' GLN . 5.7 mt -82.01 -21.48 37.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -101.55 16.74 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -118.18 -57.87 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.651 ' HB ' HD11 ' A' ' 85' ' ' LEU . 6.1 m -82.4 151.4 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.493 HG13 ' HB3' ' A' ' 68' ' ' PRO . 72.9 t -122.68 114.29 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.745 HD13 ' C ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -95.24 137.29 34.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.511 ' H ' HD22 ' A' ' 60' ' ' LEU . 5.9 p80 -176.01 123.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.4 mtt-85 -41.65 158.54 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.734 ' HB3' HG21 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.04 106.25 2.24 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.521 1.801 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.65 -53.65 0.8 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -50.01 164.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 0.807 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.33 -69.39 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.473 ' CG ' ' HD2' ' A' ' 68' ' ' PRO . 0.2 OUTLIER -56.35 149.76 36.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.493 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.1 Cg_endo -75.02 127.95 11.08 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.496 1.788 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.481 ' HB2' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -66.56 97.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -40.24 149.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 mt -97.89 22.77 8.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -85.77 -19.9 30.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -83.76 152.06 62.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 18.4 Cg_endo -74.99 137.97 22.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.711 HG23 ' HA ' ' A' ' 36' ' ' PRO . 9.6 m -47.36 -26.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.5 p -46.18 -33.09 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -40.59 60.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.887 HG11 HD11 ' A' ' 40' ' ' LEU . 3.4 m -89.01 44.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.677 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -127.69 77.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.0 t -178.53 -55.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -106.43 176.44 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.3 m -91.29 137.75 32.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.817 HD11 ' HB ' ' A' ' 78' ' ' VAL . 83.1 mt -94.11 175.16 6.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.734 HG21 ' HB3' ' A' ' 63' ' ' PRO . 93.4 t -132.5 130.4 59.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.839 HD13 ' N ' ' A' ' 86' ' ' ASP . 1.4 tm? -110.74 141.8 43.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.839 ' N ' HD13 ' A' ' 85' ' ' LEU . 10.8 t0 -129.17 89.27 2.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.4 p -61.2 157.4 43.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.388 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.78 15.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -54.66 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -94.21 102.84 14.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -169.89 131.27 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.66 -66.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.21 170.32 15.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.89 -57.6 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.059 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -178.89 87.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -175.5 -179.39 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.81 -59.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.61 102.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.7 p -59.05 93.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.35 157.33 28.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.78 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.787 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.3 159.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.26 -58.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.76 168.98 21.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 110.005 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -178.32 142.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.95 156.83 8.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -177.96 145.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.79 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.15 170.38 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.72 161.81 9.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -173.36 126.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -158.23 172.62 18.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.14 80.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.0 m -118.02 165.16 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.96 130.67 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 tp -174.39 165.55 3.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -158.53 90.64 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -154.59 120.99 5.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -39.33 127.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.633 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.9 pp -105.78 158.95 6.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 32' ' ' ILE . 16.0 m -134.28 159.63 40.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 51.1 p90 -154.7 163.19 40.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -102.27 160.02 14.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -137.33 150.77 47.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -107.84 120.94 43.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -91.45 74.07 6.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.518 ' CG2' HG13 ' A' ' 84' ' ' VAL . 14.7 t -50.14 131.04 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.88 -33.02 6.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.05 -29.04 16.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 64.02 75.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -177.3 135.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.0 t -92.25 139.44 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -124.6 167.95 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -126.9 141.75 51.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.574 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 6.7 mt -128.58 131.47 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.9 p -119.32 137.03 53.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.031 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.73 158.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -54.26 152.24 11.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.725 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.97 -58.42 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.517 1.799 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 36' ' ' PRO . 17.1 p -37.79 -53.77 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 2.0 mttt -42.83 163.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -89.04 -176.1 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.574 HD11 HG11 ' A' ' 78' ' ' VAL . 1.1 mt -83.45 -27.06 29.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.508 ' HB2' HD22 ' A' ' 55' ' ' LEU . 8.4 pt20 -84.51 -36.35 22.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.9 mm-40 -74.83 -27.1 60.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.05 -24.66 28.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -92.97 -12.95 29.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.526 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.54 -50.38 88.11 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.98 -3.25 13.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 17.8 mm -100.71 -45.23 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 53' ' ' LEU . 6.0 mt -69.8 -34.52 73.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.31 -36.84 79.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.79 -1.01 57.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 24.0 m80 -120.8 5.47 10.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.591 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.46 19.18 46.68 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.445 1.09 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' LEU . 30.0 mt -91.73 -165.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.3 m -156.68 163.22 39.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.508 HD22 ' HB2' ' A' ' 41' ' ' GLN . 12.0 mt -80.58 -21.03 42.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.61 32.29 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -134.44 -46.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 m -92.53 161.34 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.449 HG13 ' HB3' ' A' ' 68' ' ' PRO . 38.7 t -132.01 113.48 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 61' ' ' HIS . 1.3 tm? -88.7 139.01 30.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.833 ' N ' HD13 ' A' ' 60' ' ' LEU . 17.3 p80 -172.91 128.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.56 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.535 ' HG3' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -63.09 165.09 11.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.507 ' HB3' HG21 ' A' ' 84' ' ' VAL . 18.4 Cg_endo -74.93 102.33 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.537 1.809 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.99 -52.06 0.84 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -39.53 147.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.22 -71.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.42 ' O ' ' NE2' ' A' ' 67' ' ' GLN . 1.3 pm0 -76.78 161.73 72.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.449 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -74.98 131.05 13.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.413 ' HE2' HD12 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -53.64 159.89 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.94 122.25 42.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.2 mt -65.31 -24.59 67.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -50.72 -28.13 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -71.46 148.05 93.0 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 140.31 25.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.889 ' HA ' HG22 ' A' ' 78' ' ' VAL . 16.8 m -55.35 -19.77 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -58.92 -18.73 36.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.951 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.2 -13.59 24.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.889 HG22 ' HA ' ' A' ' 75' ' ' VAL . 13.4 m -120.95 46.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -107.2 33.52 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 81' ' ' GLN . 0.5 OUTLIER -155.26 -176.45 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.028 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' SER . 45.4 mt-30 41.65 -163.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.2 m -129.05 126.83 40.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.447 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.535 HD23 ' HG3' ' A' ' 62' ' ' ARG . 4.9 mt -84.19 164.46 19.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.518 HG13 ' CG2' ' A' ' 24' ' ' VAL . 58.7 t -125.06 113.22 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.649 HD13 ' N ' ' A' ' 86' ' ' ASP . 3.4 tm? -97.24 137.49 36.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.649 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -121.5 90.36 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 37.9 p -57.68 158.35 12.08 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.386 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.08 43.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 56.09 4.15 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.476 1.777 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 168.2 102.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -166.07 102.83 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -108.75 103.73 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -154.08 99.31 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 t -175.91 -60.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.06 -60.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -168.55 172.09 8.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -156.38 101.68 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -54.38 118.05 3.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 100' ' ' GLY . 13.5 t -175.78 105.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 99' ' ' SER . . . -37.58 98.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.47 33.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.483 1.781 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 m -149.65 121.2 7.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.6 p -99.21 -58.28 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t 63.36 151.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 110.052 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.89 169.13 16.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.027 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.87 -168.61 21.19 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -159.05 162.24 36.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 110.028 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.49 160.93 40.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.39 168.18 12.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.08 157.56 46.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -106.89 165.46 11.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -131.19 82.12 2.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 12' ' ' ARG . 77.1 t -78.42 -96.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' N ' HG12 ' A' ' 11' ' ' VAL . 3.2 mmt85 38.91 82.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 mt 54.24 78.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.16 128.65 36.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -122.43 164.92 17.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.89 130.1 39.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 1.019 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.7 pp -101.92 153.07 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 32' ' ' ILE . 6.1 m -128.46 156.65 42.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.379 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 48.7 p90 -154.19 162.05 41.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.418 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -101.11 163.95 12.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -139.27 143.87 38.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' OE1' HG22 ' A' ' 84' ' ' VAL . 1.2 tt0 -101.23 114.01 27.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 mt -85.45 69.67 10.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.518 HG23 HG13 ' A' ' 84' ' ' VAL . 93.2 t -40.6 148.18 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.93 -30.81 5.61 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.617 ' O ' HD12 ' A' ' 26' ' ' LEU . 8.2 tp -118.78 1.18 11.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 38.87 48.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -115.76 133.52 55.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.3 t -100.17 124.27 53.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.9 OUTLIER -117.38 162.08 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.418 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -120.89 140.3 52.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.578 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 10.1 mt -126.23 137.44 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.255 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.2 p -121.92 136.28 54.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.54 164.09 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -61.96 152.91 75.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.725 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.99 -55.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.427 1.751 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' PRO . 27.8 p -38.32 -54.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.484 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.9 OUTLIER -45.03 166.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -92.32 -175.42 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.692 HD11 HG11 ' A' ' 78' ' ' VAL . 1.3 mt -83.0 -26.65 31.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.514 ' HB2' HD22 ' A' ' 55' ' ' LEU . 7.5 pt20 -83.78 -39.16 20.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.484 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.4 mm-40 -73.42 -25.85 60.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.34 -25.04 29.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -92.86 -15.76 26.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.529 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -52.96 -50.16 83.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.03 -3.08 13.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.777 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 47' ' ' ILE . 15.1 mm -100.08 -47.92 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.596 HD13 ' C ' ' A' ' 54' ' ' SER . 14.9 mt -62.58 -49.61 74.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.88 75.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.6 -11.7 59.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.414 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 44.2 m80 -115.66 7.09 14.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.594 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 64.24 14.04 55.55 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' LEU . 14.1 mt -91.89 -163.91 1.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.76 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.596 ' C ' HD13 ' A' ' 48' ' ' LEU . 69.4 m -154.48 175.33 13.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.941 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 41' ' ' GLN . 23.4 mt -86.55 -23.75 25.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -102.1 30.25 4.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -131.42 -53.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.839 ' HB ' HD21 ' A' ' 85' ' ' LEU . 11.1 m -87.34 137.25 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 89.8 t -109.45 121.89 63.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.578 HD13 ' N ' ' A' ' 61' ' ' HIS . 2.1 tm? -98.15 139.6 33.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.578 ' N ' HD13 ' A' ' 60' ' ' LEU . 1.1 p80 -177.6 121.79 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 109.637 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -52.29 161.31 1.06 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.504 ' HB3' HG21 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.01 105.71 2.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.477 1.778 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.43 -54.25 0.76 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -45.75 160.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 0.801 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.78 -69.41 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.32 162.8 67.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.467 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.01 132.95 15.98 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.778 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.434 ' HE2' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -53.43 -176.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -116.99 132.48 56.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.454 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 2.9 mt -83.4 -41.13 18.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -41.29 -28.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.339 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.419 ' N ' ' C ' ' A' ' 71' ' ' LEU . 67.3 m-20 -67.12 152.24 96.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 139.58 24.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.816 ' HA ' HG22 ' A' ' 78' ' ' VAL . 10.9 m -58.73 -23.05 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.59 -25.47 17.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.115 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.5 -33.08 23.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.958 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.816 HG22 ' HA ' ' A' ' 75' ' ' VAL . 29.7 m -100.54 42.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.019 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -126.65 66.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.92 -52.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.005 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -101.83 177.72 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 m -94.23 142.3 27.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.531 HD11 ' HB ' ' A' ' 78' ' ' VAL . 9.2 mt -105.74 168.99 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.518 HG13 HG23 ' A' ' 24' ' ' VAL . 89.3 t -127.56 129.18 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.839 HD21 ' HB ' ' A' ' 58' ' ' VAL . 3.4 tm? -108.68 139.78 43.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.656 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -124.1 95.49 4.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 31.6 p -64.64 157.66 72.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.373 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 154.96 43.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.86 4.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.4 t0 175.39 91.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -140.65 -64.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.25 -63.99 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.05 169.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 m -124.0 150.98 44.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -38.98 105.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -99.22 173.92 6.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.62 87.46 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -112.72 154.88 25.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.27 164.51 13.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.11 119.77 0.88 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.093 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.17 27.63 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.4 p -99.22 179.06 4.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.044 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.5 p -134.07 163.98 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -168.67 170.04 9.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -165.98 170.3 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.34 -171.35 15.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -159.72 170.47 21.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.96 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.5 p -160.2 160.3 32.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.005 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.75 164.36 13.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.6 -50.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.766 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 59.23 163.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -128.59 141.88 51.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.3 t -136.74 -51.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.16 -41.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 58.05 89.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -99.56 71.16 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -153.37 162.03 41.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.86 125.31 3.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.733 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.5 pp -102.37 158.15 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 32' ' ' ILE . 10.2 m -137.91 158.36 44.51 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 110.388 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 46.2 p90 -154.49 165.69 35.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.465 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 26.2 mt-30 -101.18 152.67 20.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.641 HD12 HD11 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -126.51 141.08 52.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -98.13 110.85 23.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' LEU . 4.9 mt -81.9 70.26 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.546 ' CG2' HG13 ' A' ' 84' ' ' VAL . 40.2 t -39.83 -69.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -43.36 -32.25 1.74 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -103.68 -157.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -148.48 72.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -178.22 132.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.9 t -81.42 118.39 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.341 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.409 HG13 HD12 ' A' ' 23' ' ' LEU . 3.6 m -101.33 155.63 4.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.465 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 15.3 tpp85 -113.88 150.1 34.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 18' ' ' THR . 8.4 mt -132.75 132.1 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.7 p -120.9 131.04 54.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.46 153.65 2.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.11 151.75 2.25 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.732 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -75.03 -59.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 36' ' ' PRO . 6.6 p -37.7 -50.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -44.97 161.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -87.15 179.43 6.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.909 HD11 HG11 ' A' ' 78' ' ' VAL . 1.2 mt -78.99 -29.05 43.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.457 ' HB2' HD22 ' A' ' 55' ' ' LEU . 13.0 pt20 -83.63 -34.04 25.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 42.1 mm-40 -76.59 -25.25 53.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.93 -23.78 25.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -94.62 -17.82 21.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.529 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -52.19 -50.16 80.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.293 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.01 -3.19 13.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 20.8 mm -100.24 -43.38 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 53' ' ' LEU . 11.8 mt -71.09 -35.74 71.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.84 -24.6 63.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -16.07 22.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.424 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 51.1 m80 -109.32 7.14 25.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.629 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.66 28.28 59.82 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.454 HD13 HG11 ' A' ' 58' ' ' VAL . 42.6 mt -101.1 -170.42 1.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.04 156.21 41.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.457 HD22 ' HB2' ' A' ' 41' ' ' GLN . 11.5 mt -71.46 -29.53 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -94.27 7.67 44.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -106.13 -60.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.591 ' HB ' HD11 ' A' ' 85' ' ' LEU . 5.6 m -83.9 141.85 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 74.4 t -108.98 119.73 59.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.652 HD13 ' H ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -89.97 138.01 31.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.652 ' H ' HD13 ' A' ' 60' ' ' LEU . 3.7 p80 -176.19 137.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.56 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -66.35 165.1 25.4 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 106.98 2.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.93 -40.04 1.97 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -63.51 141.86 58.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.76 -22.35 17.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.475 ' CG ' ' HD2' ' A' ' 68' ' ' PRO . 5.8 tt0 -96.76 141.63 23.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 67' ' ' GLN . 18.3 Cg_endo -74.97 126.47 10.01 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 59.1 mtp -63.27 139.85 58.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.25 123.25 24.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.456 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 1.3 mt -68.86 -25.66 64.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -52.87 -21.06 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -75.67 151.81 84.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 142.94 28.42 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.862 ' HA ' HG22 ' A' ' 78' ' ' VAL . 13.0 m -62.09 -15.23 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 t -58.97 -29.94 67.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.93 -31.18 27.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.909 HG11 HD11 ' A' ' 40' ' ' LEU . 3.5 m -97.24 40.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.689 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -125.84 59.99 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.71 -59.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -98.35 173.78 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -89.92 139.55 30.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -100.37 168.89 9.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.546 HG13 ' CG2' ' A' ' 24' ' ' VAL . 92.9 t -128.31 123.38 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.719 HD13 ' N ' ' A' ' 86' ' ' ASP . 2.1 tm? -94.92 139.74 30.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.719 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -125.93 94.31 4.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.268 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.9 p -66.92 157.42 84.41 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.374 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.41 38.9 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 57.75 4.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -160.81 -52.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.59 62.57 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.54 175.57 11.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.8 ttt -46.9 -59.2 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 67.87 153.85 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 110.045 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -152.1 142.56 22.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.77 148.51 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 179.51 154.66 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.17 -56.14 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 75.55 -60.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.39 97.29 0.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 176.11 10.35 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.5 1.789 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.63 166.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.053 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.9 t -174.29 101.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p -158.94 166.72 31.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.973 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.4 p -164.08 142.62 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.027 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.0 -151.33 23.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.97 157.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 110.031 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -164.64 167.57 19.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.27 -139.51 11.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.69 160.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 60.78 164.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -131.17 154.87 47.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.463 HG23 ' CD ' ' A' ' 12' ' ' ARG . 15.2 m -70.59 167.6 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' CD ' HG23 ' A' ' 11' ' ' VAL . 4.6 mtp180 60.94 104.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.19 79.64 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 78.06 -62.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.253 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 169.15 164.32 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 -47.47 129.78 13.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.746 HD11 ' HB ' ' A' ' 75' ' ' VAL . 1.7 pp -102.14 157.87 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 32' ' ' ILE . 7.5 m -137.16 158.27 44.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 41.2 p90 -155.24 166.45 33.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 8.1 mt-30 -101.21 157.32 16.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.344 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.809 HD12 HD11 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -130.89 137.36 49.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -96.64 115.03 26.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 24' ' ' VAL . 5.8 mt -83.3 70.12 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.542 ' CG2' HG13 ' A' ' 84' ' ' VAL . 94.8 t -39.63 108.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.89 11.06 9.46 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.453 1.096 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.93 159.8 41.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -105.68 64.09 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.8 128.69 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 74.8 t -98.99 103.51 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 m -80.32 151.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 3.0 tpp85 -114.41 151.05 33.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.246 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.809 HD11 HD12 ' A' ' 21' ' ' LEU . 10.8 mt -132.31 133.16 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.7 p -122.81 135.04 54.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.68 161.46 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.26 153.86 24.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.737 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.95 -54.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.1 p -38.63 -56.05 1.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.2 mttm -43.34 164.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 74' ' ' PRO . 9.9 mtt-85 -92.44 -174.82 3.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.723 HD11 HG11 ' A' ' 78' ' ' VAL . 1.8 mt -82.97 -22.42 33.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.505 ' HB2' HD22 ' A' ' 55' ' ' LEU . 17.9 pt20 -88.99 -35.72 16.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.431 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 14.7 mm-40 -77.92 -26.85 49.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.94 -25.14 32.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -92.15 -15.44 27.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.528 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -51.92 -50.09 80.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.5 Cg_endo -74.98 -3.06 13.37 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 47' ' ' ILE . 13.6 mm -100.42 -48.0 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.369 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 54' ' ' SER . 11.4 mt -63.03 -45.01 94.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.53 -30.75 71.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -87.5 -0.58 57.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 46.0 m80 -127.11 5.52 6.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.582 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 64.54 16.3 60.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.572 1.17 . . . . 0.0 110.976 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.4 mt -94.79 -167.76 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 0.794 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.572 ' C ' HD13 ' A' ' 48' ' ' LEU . 74.5 m -152.21 179.05 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 41' ' ' GLN . 13.3 mt -89.86 -16.32 30.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.48 15.26 25.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -117.7 -43.97 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.611 ' HB ' HD21 ' A' ' 85' ' ' LEU . 3.0 m -102.54 150.47 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 68' ' ' PRO . 76.5 t -121.43 124.94 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.772 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.9 OUTLIER -94.45 139.13 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.283 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.772 ' N ' HD13 ' A' ' 60' ' ' LEU . 4.0 p80 -175.82 148.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.582 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.834 ' HG2' HD23 ' A' ' 83' ' ' LEU . 9.2 mtt180 -78.04 158.49 77.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 101.52 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.17 -43.03 1.31 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -48.94 145.69 3.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 0.819 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -71.23 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -83.18 161.26 57.99 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.277 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.472 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -75.02 136.25 20.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.44 154.61 27.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -92.93 118.01 30.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 40' ' ' LEU . 2.2 mt -55.95 -26.33 47.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -23.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -73.84 146.39 85.31 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 18.4 Cg_endo -74.94 138.97 23.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.793 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.813 ' HA ' HG22 ' A' ' 78' ' ' VAL . 16.8 m -56.53 -18.6 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -22.87 64.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.23 -16.63 27.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.813 HG22 ' HA ' ' A' ' 75' ' ' VAL . 2.9 m -112.51 34.89 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.54 25.21 4.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.5 p -152.52 145.28 24.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.959 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 74.53 178.08 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.448 ' OG1' ' NE2' ' A' ' 20' ' ' GLN . 48.5 m -110.41 126.22 54.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 110.396 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.834 HD23 ' HG2' ' A' ' 62' ' ' ARG . 15.5 mt -84.15 174.68 10.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.542 HG13 ' CG2' ' A' ' 24' ' ' VAL . 86.4 t -126.97 137.12 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.611 HD21 ' HB ' ' A' ' 58' ' ' VAL . 2.7 tm? -110.4 138.97 46.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.419 ' N ' HD13 ' A' ' 85' ' ' LEU . 18.8 t0 -125.49 95.21 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.404 ' CG2' ' CD1' ' A' ' 85' ' ' LEU . 79.5 p -72.03 157.36 89.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 162.51 37.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 111.024 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.96 160.72 39.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 89' ' ' PRO . 0.2 OUTLIER 44.99 92.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.11 74.68 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.9 mttt 48.51 68.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.6 mtt -72.9 -56.31 5.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.6 t 43.67 75.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.953 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.38 84.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -76.18 144.53 40.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 177.83 89.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 m 49.09 96.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.32 -58.42 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.57 159.28 0.24 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.53 24.44 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.2 t -145.41 120.57 10.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.958 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.7 t 58.7 161.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.026 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.05 114.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.1 146.82 20.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.87 100.85 1.1 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.49 -56.64 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.71 156.88 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.98 128.93 4.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.62 -166.3 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -97.29 38.56 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 50.83 -167.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 12' ' ' ARG . 47.1 t -143.33 163.42 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.456 ' N ' HG12 ' A' ' 11' ' ' VAL . 33.7 mtp180 55.63 166.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mt -154.1 143.49 21.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 59.68 98.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 173.65 175.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.0 128.21 20.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 1.006 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.8 pp -107.79 151.18 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.48 HG23 ' HB3' ' A' ' 33' ' ' SER . 3.0 m -128.55 153.05 47.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 46.8 p90 -153.31 163.94 39.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -101.03 163.23 12.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -137.81 147.54 44.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -102.87 119.87 39.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.0 mt -92.39 74.81 5.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.417 ' CG2' HG13 ' A' ' 84' ' ' VAL . 66.5 t -55.17 105.12 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 151.4 -77.59 0.22 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.88 HD21 ' CD ' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -71.12 -29.82 65.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.79 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 1.5 mt-10 84.32 94.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.88 ' CD ' HD21 ' A' ' 26' ' ' LEU . 13.0 ptm180 179.79 167.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.7 t -121.51 131.27 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 1.0 OUTLIER -116.01 162.38 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HD3' HG21 ' A' ' 18' ' ' THR . 0.1 OUTLIER -120.44 142.35 49.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.585 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 8.8 mt -128.09 133.2 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.48 ' HB3' HG23 ' A' ' 18' ' ' THR . 70.8 p -122.05 134.7 54.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.53 155.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.496 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -49.25 151.73 2.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.722 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.0 Cg_endo -75.08 -59.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . 79.3 p -37.84 -53.33 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -41.08 155.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.411 ' NH1' ' HD3' ' A' ' 74' ' ' PRO . 1.2 mmp_? -78.69 -175.9 4.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.979 HD21 HG21 ' A' ' 78' ' ' VAL . 2.0 mt -84.68 -26.55 27.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.612 ' HB2' HD22 ' A' ' 55' ' ' LEU . 1.9 pt20 -84.8 -38.71 19.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.451 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 14.9 mm-40 -71.68 -24.45 61.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.68 -25.6 24.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.29 -16.42 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.531 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -52.8 -50.2 82.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -74.97 -3.31 13.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.426 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 16.0 mm -100.23 -42.83 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' LEU . 8.1 mt -72.79 -26.15 61.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.78 -33.66 60.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 1.49 57.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 28.7 m80 -123.58 4.47 8.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.606 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.13 25.18 56.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.541 1.151 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' LEU . 80.9 mt -97.4 -168.52 1.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.66 174.81 11.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.039 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 41' ' ' GLN . 7.0 mt -94.88 -13.54 25.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.67 7.18 18.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.24 -47.0 4.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.434 ' HB ' HD21 ' A' ' 85' ' ' LEU . 6.9 m -89.12 171.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' A' ' 68' ' ' PRO . 46.7 t -141.44 123.47 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.708 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -102.13 139.41 37.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.708 ' N ' HD13 ' A' ' 60' ' ' LEU . 15.2 p80 -172.84 117.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.576 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -48.49 155.45 0.97 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 94.15 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 147.53 -42.79 0.87 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -60.02 168.93 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.309 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -101.97 -74.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -69.09 160.71 77.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.422 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 142.0 27.31 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.496 ' SD ' HD13 ' A' ' 40' ' ' LEU . 2.1 ptp -71.39 177.28 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -110.49 143.11 41.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.24 1.62 54.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -76.57 -2.98 35.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -98.31 152.86 38.17 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.411 ' HD3' ' NH1' ' A' ' 39' ' ' ARG . 18.3 Cg_endo -74.97 139.97 24.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.722 HG23 ' HA ' ' A' ' 36' ' ' PRO . 6.3 m -53.01 -21.63 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.5 p -52.89 -23.05 6.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 109.984 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.45 -39.86 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.979 HG21 HD21 ' A' ' 40' ' ' LEU . 16.1 m -91.99 36.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.006 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -123.03 58.38 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.5 t -161.35 -54.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -101.79 179.04 4.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -92.99 136.08 33.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.421 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.909 HD11 ' HB ' ' A' ' 78' ' ' VAL . 28.5 mt -96.19 163.24 13.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.417 HG13 ' CG2' ' A' ' 24' ' ' VAL . 73.8 t -127.13 119.24 52.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.71 HD13 ' N ' ' A' ' 86' ' ' ASP . 2.6 tm? -103.5 138.2 40.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.71 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -125.42 90.52 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 42.6 p -57.78 158.95 10.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 18.2 Cg_endo -75.01 153.85 42.0 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.488 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 18.4 Cg_endo -74.98 55.87 4.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 89' ' ' PRO . 0.4 OUTLIER 157.09 89.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.11 121.84 32.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.37 122.44 1.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.57 149.82 27.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.72 -57.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.62 143.41 50.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -169.17 -177.32 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 67.17 152.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.4 m -128.79 -59.42 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.9 t -175.06 160.68 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -139.19 67.7 0.51 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 83.58 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.471 1.774 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.4 t -163.77 145.92 9.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.037 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.35 118.44 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.7 129.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 109.984 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.62 152.91 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.952 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.06 118.34 1.46 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 p -151.9 119.42 6.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.992 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.04 148.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.967 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.49 -108.78 0.25 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.449 1.093 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.13 142.23 0.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -159.29 173.6 16.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.78 140.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.1 m -128.43 -45.86 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -143.7 98.47 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.43 130.76 28.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.19 122.79 18.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -178.56 -55.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.65 125.17 2.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.78 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.5 pp -105.09 152.29 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 m -130.06 156.03 45.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 49.9 p90 -154.82 166.07 34.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -101.15 161.8 13.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.47 HD12 HD11 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -134.9 135.61 41.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -97.72 108.52 21.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.438 HD13 ' HD3' ' A' ' 28' ' ' ARG . 10.7 mt -82.64 80.63 8.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.501 ' CG2' HG13 ' A' ' 84' ' ' VAL . 20.6 t -64.01 126.04 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.3 33.18 2.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.958 HD21 ' CD ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -173.24 -40.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 0.754 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 1.2 tp10 86.86 90.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.958 ' CD ' HD21 ' A' ' 26' ' ' LEU . 10.0 ptm180 179.68 165.45 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.8 t -128.65 138.05 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.7 m -125.23 159.15 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 32' ' ' ILE . 23.7 ttp180 -114.81 144.32 43.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.583 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 7.0 mt -130.83 129.7 63.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.5 p -119.59 134.59 55.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.42 154.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -48.97 151.02 2.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.68 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.96 -58.86 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.543 1.812 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' PRO . 22.3 p -38.28 -48.05 1.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.476 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -47.53 167.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -93.31 -172.74 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.079 HD11 HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -86.59 -23.68 25.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -85.61 -39.53 17.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.6 mm-40 -75.82 -21.9 56.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.9 -24.1 22.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.84 -18.14 19.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.557 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -53.89 -48.3 94.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.95 -4.59 15.64 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.523 1.801 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 18.6 mm -101.03 -49.67 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' LEU . 31.0 mt -68.29 -31.43 70.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.14 -28.12 63.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -96.39 1.02 51.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 28.6 m80 -121.03 8.79 10.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.556 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.78 17.54 54.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 48' ' ' LEU . 39.2 mt -94.53 -173.48 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.4 m -150.58 165.56 32.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.529 HD11 ' HG2' ' A' ' 45' ' ' GLN . 13.7 mt -81.55 -16.63 51.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.91 31.32 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -139.42 -62.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.579 ' HB ' HD21 ' A' ' 85' ' ' LEU . 14.7 m -66.73 149.61 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.432 HG13 ' HB3' ' A' ' 68' ' ' PRO . 22.0 t -126.76 105.29 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.617 HD11 ' HB3' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -87.32 139.79 30.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.542 ' H ' HD13 ' A' ' 60' ' ' LEU . 17.2 p80 -174.12 115.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.57 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.458 ' HG3' ' CD2' ' A' ' 83' ' ' LEU . 3.3 mtt180 -47.35 158.55 0.47 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.533 ' HB3' HG21 ' A' ' 84' ' ' VAL . 18.2 Cg_endo -75.07 98.42 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.535 1.808 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.9 37.96 0.63 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.15 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 54.4 mm-40 -125.04 -46.64 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER 87.58 -55.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -82.36 160.09 63.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.5 Cg_endo -74.98 135.93 19.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.06 167.52 21.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.5 118.85 34.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.54 -27.83 67.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -49.02 -23.68 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -71.14 148.22 93.95 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 18.4 Cg_endo -75.02 133.21 16.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.837 ' HA ' HG22 ' A' ' 78' ' ' VAL . 5.4 m -46.88 -25.92 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' PRO . 3.9 t -47.04 -27.9 1.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.991 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.5 -40.32 23.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.079 HG11 HD11 ' A' ' 40' ' ' LEU . 12.2 m -90.91 39.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -124.96 45.66 2.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.9 t -151.15 -62.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.984 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -94.25 158.47 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.3 m -74.41 131.14 40.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.769 HD11 ' HB ' ' A' ' 78' ' ' VAL . 32.1 mt -84.77 169.91 13.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.533 HG21 ' HB3' ' A' ' 63' ' ' PRO . 74.9 t -135.22 122.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 86' ' ' ASP . 0.6 OUTLIER -107.52 132.26 53.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.603 ' N ' HD23 ' A' ' 85' ' ' LEU . 7.6 t0 -111.87 61.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.408 ' CG2' HD22 ' A' ' 85' ' ' LEU . 70.8 p -45.6 156.6 0.41 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 173.32 14.72 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.493 1.786 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.2 27.66 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.34 97.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -178.34 86.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -118.42 -67.88 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.234 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 60.36 93.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.0 p -179.53 166.18 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -40.12 159.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.02 144.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -178.62 83.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.6 t 57.86 88.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.934 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 80.1 p -58.54 144.77 41.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -144.91 152.37 24.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 165.11 32.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.2 t -166.62 131.07 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.25 140.35 23.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -171.03 164.48 7.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.781 . . . . 0.0 110.023 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p -166.28 163.02 17.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.28 -154.61 6.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.4 164.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 0.732 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.4 164.34 37.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.137 . . . . 0.0 110.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.88 155.21 26.46 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -154.72 166.75 32.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.78 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 173.92 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.24 84.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.7 t -128.6 -64.18 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.85 152.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.63 121.51 9.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.93 114.2 8.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -137.76 82.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -43.02 129.84 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.862 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.5 pp -95.3 151.57 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 2.6 m -128.98 153.42 47.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.441 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 47.0 p90 -150.98 164.33 36.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.467 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 30.7 mt-30 -100.92 157.56 16.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.507 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -129.9 139.94 51.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.529 ' HB3' HG13 ' A' ' 84' ' ' VAL . 1.8 tt0 -98.21 115.07 27.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mt -88.45 68.33 8.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.525 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 83.9 t -39.69 133.32 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.6 -13.59 63.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.515 HD22 ' HE ' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -119.98 -164.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 pm0 -143.11 64.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.515 ' HE ' HD22 ' A' ' 26' ' ' LEU . 4.6 ptp180 -161.57 130.24 4.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 91.4 t -96.28 94.95 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 m -71.52 147.92 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.431 ' HD3' ' CG ' ' A' ' 20' ' ' GLN . 8.9 tpp85 -113.94 149.09 35.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.587 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.5 mt -132.9 138.8 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.444 ' CA ' HG23 ' A' ' 18' ' ' THR . 0.3 OUTLIER -128.75 128.55 44.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.979 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.29 153.5 5.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -45.96 151.46 0.88 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.678 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.2 Cg_endo -75.08 -58.75 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.473 1.776 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.4 p -38.89 -49.6 1.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.407 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 2.1 mttt -45.31 166.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -92.99 -174.93 3.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.922 HD11 HG11 ' A' ' 78' ' ' VAL . 1.6 mt -84.54 -23.81 29.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.431 ' HB2' HD22 ' A' ' 55' ' ' LEU . 2.9 pt20 -86.47 -41.98 13.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.444 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 58.1 mm-40 -72.53 -23.3 60.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.22 -23.89 26.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.63 -15.65 21.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.535 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -52.2 -49.82 82.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.97 -3.3 13.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 47' ' ' ILE . 13.4 mm -100.68 -46.03 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.703 HD21 HG21 ' A' ' 58' ' ' VAL . 10.7 mt -68.66 -29.55 68.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.43 60.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.43 -4.35 57.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.421 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 44.8 m80 -119.02 6.19 11.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.68 19.54 49.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.562 1.164 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.7 mt -92.6 -166.18 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 51.3 m -148.32 172.9 13.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.431 HD22 ' HB2' ' A' ' 41' ' ' GLN . 25.3 mt -85.96 -23.45 26.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.49 28.24 4.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -129.82 -64.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.703 HG21 HD21 ' A' ' 48' ' ' LEU . 24.0 m -68.73 127.65 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.439 HG13 ' HB3' ' A' ' 68' ' ' PRO . 58.9 t -103.55 104.92 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -87.11 138.25 31.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.606 ' H ' HD13 ' A' ' 60' ' ' LEU . 2.3 p80 -176.97 136.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.628 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -63.79 158.29 61.89 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.666 ' HB3' HG21 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.0 111.88 3.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.771 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.71 -46.01 1.11 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -49.11 162.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.737 . . . . 0.0 110.232 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -95.5 -70.25 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.465 ' CG ' ' HD2' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -75.98 162.15 72.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 67' ' ' GLN . 18.2 Cg_endo -75.06 135.06 18.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.83 166.83 4.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.32 133.61 45.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.09 -24.68 58.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -51.53 -24.01 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -72.46 148.01 90.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.69 20.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.459 1.768 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.861 ' HA ' HG22 ' A' ' 78' ' ' VAL . 7.0 m -51.29 -24.65 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.4 t -49.58 -33.67 15.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.23 -37.5 53.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.939 ' HB ' HD11 ' A' ' 83' ' ' LEU . 14.1 m -96.07 48.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.862 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -132.43 51.04 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.6 t -154.94 -56.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.06 177.25 6.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -96.65 123.52 40.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.939 HD11 ' HB ' ' A' ' 78' ' ' VAL . 45.8 mt -83.79 159.76 21.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.666 HG21 ' HB3' ' A' ' 63' ' ' PRO . 39.0 t -122.41 125.73 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.672 HD13 HG22 ' A' ' 87' ' ' THR . 0.0 OUTLIER -106.9 124.23 49.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.351 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' N ' ' CD2' ' A' ' 85' ' ' LEU . 1.3 t70 -101.3 60.69 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.672 HG22 HD13 ' A' ' 85' ' ' LEU . 68.7 p -41.62 155.88 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.387 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 171.1 18.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.426 1.75 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.47 3.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -99.16 88.68 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -173.17 166.61 4.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 81.11 -63.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.17 110.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.65 172.21 18.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.04 113.18 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -122.06 -175.28 3.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.44 165.15 26.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.5 p -39.88 118.66 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.979 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.85 160.53 43.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -66.4 113.31 5.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 175.75 10.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.0 t -97.3 -61.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.7 t 66.1 140.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.54 149.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 0.79 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -171.33 165.2 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.19 128.71 2.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.06 153.99 2.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 109.996 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.6 t -177.32 166.88 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.14 138.67 9.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.0 176.97 7.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 0.775 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.516 ' O ' ' CB ' ' A' ' 10' ' ' GLU . 34.6 mt-30 -90.78 37.86 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 9' ' ' GLN . 1.6 mt-10 87.06 -41.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t 67.31 -72.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 10' ' ' GLU . 72.9 mmt-85 -95.47 160.81 14.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.01 73.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -70.55 -75.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.31 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 177.89 160.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.55 128.48 37.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.789 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.4 pp -101.71 160.19 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 32' ' ' ILE . 6.7 m -135.99 157.33 47.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.414 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 32' ' ' ILE . 47.1 p90 -153.66 162.32 41.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 23.7 mt-30 -101.36 157.45 16.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.486 ' HA ' HD23 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -132.68 136.38 46.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.48 ' HB3' HG13 ' A' ' 84' ' ' VAL . 2.4 tt0 -94.09 130.57 40.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 25' ' ' GLY . 6.5 mt -102.97 70.68 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.0 t -47.64 97.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . 136.92 -53.44 0.74 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.448 HD13 ' HD3' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -72.79 -29.13 63.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 70.7 74.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' HD3' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -174.35 157.35 2.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.285 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.415 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 86.2 t -113.52 109.86 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 3.8 m -92.72 156.67 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.86 146.95 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 19' ' ' PHE . 10.1 mt -132.82 134.17 58.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 p -120.42 135.99 54.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.86 163.79 2.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.22 150.04 43.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.722 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.97 -57.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.471 1.774 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' PRO . 31.1 p -37.46 -55.02 1.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.475 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -41.38 161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -85.04 -176.01 6.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.887 HD12 ' OD1' ' A' ' 73' ' ' ASN . 1.4 mt -84.28 -23.67 30.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.446 ' HB2' HD22 ' A' ' 55' ' ' LEU . 6.2 pt20 -87.71 -36.98 17.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 4.5 mm-40 -74.29 -24.54 59.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.41 -25.47 25.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.08 -16.05 22.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.537 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -53.37 -49.88 85.79 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.03 -3.04 13.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.54 1.811 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 47' ' ' ILE . 14.6 mm -100.59 -47.83 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.739 HD13 ' C ' ' A' ' 54' ' ' SER . 18.8 mt -62.05 -43.58 98.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.45 -33.82 76.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.35 -5.38 59.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.467 ' CE1' HG23 ' A' ' 47' ' ' ILE . 48.3 m80 -121.55 7.83 10.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.558 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 61.52 13.71 38.99 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' LEU . 50.2 mt -91.19 -165.28 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.739 ' C ' HD13 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -155.7 -173.5 4.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.056 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.449 HD23 HD11 ' A' ' 48' ' ' LEU . 10.7 mt -99.67 -23.14 15.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -101.89 28.2 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -128.37 -63.33 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.8 m -71.68 175.96 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.486 HG13 ' HB3' ' A' ' 68' ' ' PRO . 90.7 t -143.72 108.58 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.782 HD21 HD13 ' A' ' 83' ' ' LEU . 4.9 tp -88.13 131.18 34.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -169.46 122.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.598 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -45.55 156.45 0.42 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.606 ' HB3' HG21 ' A' ' 84' ' ' VAL . 18.1 Cg_endo -75.03 91.11 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.73 50.83 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -122.2 -170.58 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -122.6 -43.7 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.67 161.5 39.43 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.486 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -74.98 133.9 17.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.543 1.812 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 64.3 mtp -58.03 174.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.444 ' C ' ' N ' ' A' ' 72' ' ' GLU . 8.6 m-20 -113.16 100.75 8.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.554 HD23 ' HB3' ' A' ' 40' ' ' LEU . 3.0 mt -39.98 -30.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 70' ' ' ASP . 28.8 mt-10 -41.12 -30.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.887 ' OD1' HD12 ' A' ' 40' ' ' LEU . 8.9 p30 -73.27 146.8 87.18 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.13 39.25 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.722 HG23 ' HA ' ' A' ' 36' ' ' PRO . 15.6 m -62.11 -14.35 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -12.71 61.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.82 -4.65 36.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.581 HG21 HD21 ' A' ' 40' ' ' LEU . 5.4 m -127.97 23.47 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.695 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -101.72 74.61 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.08 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -94.18 174.6 7.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -94.87 143.58 26.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 110.367 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.782 HD13 HD21 ' A' ' 60' ' ' LEU . 78.3 mt -103.33 164.45 11.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.606 HG21 ' HB3' ' A' ' 63' ' ' PRO . 48.8 t -126.68 134.59 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 tp -112.63 123.08 49.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -105.38 76.38 1.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 79.8 p -49.27 156.75 0.98 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.396 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 154.02 42.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 56.04 4.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 172.21 106.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -161.03 127.25 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.3 -58.03 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.47 97.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.27 83.2 5.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -149.06 139.15 22.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.31 160.93 26.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.12 156.51 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.75 -59.75 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 57.0 p -90.5 128.83 36.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.22 85.54 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 161.27 38.96 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.0 p -103.87 165.15 11.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.41 138.05 31.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.035 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -171.95 152.53 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 p -170.48 169.11 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.78 -179.61 43.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.38 163.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -129.5 160.4 33.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.53 -157.62 27.87 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -74.79 86.83 2.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 0.739 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -126.92 166.29 17.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -133.5 152.06 51.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.6 m -58.15 166.28 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 54.31 102.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.61 -63.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 176.42 179.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.243 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 60.55 157.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.57 126.06 7.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.687 HD11 ' HB ' ' A' ' 75' ' ' VAL . 1.8 pp -106.88 152.35 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 m -132.18 155.79 47.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.364 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.581 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 49.7 p90 -153.83 163.17 40.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.452 ' OE1' HG12 ' A' ' 29' ' ' VAL . 9.6 mt-30 -101.32 157.49 16.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.584 HD21 HD21 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -131.42 136.98 48.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -97.2 108.65 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 mt -80.63 69.12 7.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.3 t -40.33 118.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.32 -48.56 0.92 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.923 HD13 ' HD3' ' A' ' 28' ' ' ARG . 0.6 OUTLIER -77.96 -7.8 57.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 26' ' ' LEU . 9.5 pt-20 42.88 57.94 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.923 ' HD3' HD13 ' A' ' 26' ' ' LEU . 6.3 ptm180 -153.65 131.46 11.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.452 HG12 ' OE1' ' A' ' 20' ' ' GLN . 79.4 t -91.8 125.17 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.5 m -111.9 160.17 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -117.2 146.08 43.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 7.5 mt -132.66 129.94 58.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.4 p -120.69 137.35 54.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.976 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.93 156.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -51.72 151.46 6.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.727 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.99 -51.53 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.8 p -43.58 -54.41 4.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.48 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 3.5 mttt -42.32 162.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -87.07 -174.11 4.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.125 HD11 HG11 ' A' ' 78' ' ' VAL . 1.1 mt -83.2 -25.75 31.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.574 ' HB2' HD22 ' A' ' 55' ' ' LEU . 8.4 pt20 -86.59 -39.1 16.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.48 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 3.1 mm-40 -70.02 -26.94 64.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.39 -24.79 25.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.17 -15.74 23.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.528 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -54.08 -50.33 84.93 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.097 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.4 Cg_endo -75.01 -3.21 13.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.435 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 18.1 mm -100.29 -43.18 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 53' ' ' LEU . 10.1 mt -72.32 -39.04 68.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.17 -25.9 65.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -93.39 -10.54 34.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 30.9 m80 -115.06 7.97 15.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.627 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.51 19.75 54.44 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.1 mt -94.07 -169.74 2.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.09 172.19 14.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.585 HD22 HD13 ' A' ' 71' ' ' LEU . 15.2 mt -88.05 -31.87 19.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.3 35.31 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -135.39 -45.27 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.712 ' HB ' HD21 ' A' ' 85' ' ' LEU . 5.7 m -94.86 147.71 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.656 ' O ' HD22 ' A' ' 85' ' ' LEU . 90.9 t -111.27 123.07 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.802 HD13 ' N ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -108.38 140.23 41.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.802 ' N ' HD13 ' A' ' 60' ' ' LEU . 26.2 p80 -174.96 116.85 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.595 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HB3' ' CD2' ' A' ' 83' ' ' LEU . 9.9 ptm180 -50.76 156.28 1.67 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 117.71 5.02 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.02 -40.23 1.67 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -66.65 -174.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.365 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.5 -76.92 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -64.07 163.82 21.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.471 ' HB3' ' CG1' ' A' ' 59' ' ' VAL . 18.2 Cg_endo -74.95 133.34 16.55 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.47 1.773 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -71.26 165.73 23.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -96.98 162.26 13.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.585 HD13 HD22 ' A' ' 55' ' ' LEU . 4.0 mt -100.74 -19.86 15.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -54.28 -27.92 38.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.82 ' OD1' HD12 ' A' ' 40' ' ' LEU . 9.0 p30 -71.07 144.3 89.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 143.76 29.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.835 ' HA ' HG22 ' A' ' 78' ' ' VAL . 15.9 m -57.59 -17.93 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -19.12 61.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.03 -32.51 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.125 HG11 HD11 ' A' ' 40' ' ' LEU . 4.2 m -92.09 16.28 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.39 141.42 50.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 81' ' ' GLN . 0.4 OUTLIER 72.31 150.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.468 ' CB ' ' O ' ' A' ' 80' ' ' SER . 1.4 tt0 84.12 -179.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 53.5 m -118.24 133.33 55.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.797 HD13 HD11 ' A' ' 60' ' ' LEU . 25.5 mt -93.8 172.26 8.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 73.1 t -127.43 134.0 66.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.712 HD21 ' HB ' ' A' ' 58' ' ' VAL . 3.3 tm? -118.91 136.19 54.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.443 ' H ' HD22 ' A' ' 85' ' ' LEU . 9.9 t0 -120.94 79.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 41.2 p -41.55 157.93 0.2 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.348 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.99 23.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 57.7 4.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.3 -56.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.96 116.48 3.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.91 -67.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.34 148.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.9 p -146.27 131.57 18.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.976 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -174.75 103.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.73 -62.16 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 42.35 88.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.235 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 p -51.45 112.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.69 114.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.04 117.89 7.12 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 168.41 24.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -129.91 106.51 8.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.5 t -83.67 -60.68 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.942 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.77 170.4 19.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.07 -59.18 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.44 178.35 41.29 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.08 161.05 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 0.791 . . . . 0.0 109.989 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 174.54 157.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.052 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.64 178.25 38.51 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -178.32 139.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.25 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -148.01 165.1 31.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -131.61 141.99 49.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.3 t -132.3 -70.53 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.75 142.84 57.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tp -158.52 147.4 18.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 59.94 77.1 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -172.22 117.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.9 126.74 16.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.83 HD13 ' HB2' ' A' ' 79' ' ' ALA . 1.7 pp -101.62 151.58 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -129.37 152.55 48.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 49.0 p90 -151.47 162.99 40.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -101.07 157.52 16.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.695 HD11 HD13 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -127.36 145.09 50.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -102.72 98.1 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 26' ' ' LEU . 4.1 mt -71.29 70.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.525 ' CG2' ' CG1' ' A' ' 84' ' ' VAL . 75.7 t -40.17 -47.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.3 -42.65 98.88 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.573 HD21 ' HD2' ' A' ' 28' ' ' ARG . 3.7 tp -116.22 98.39 6.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.33 95.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.573 ' HD2' HD21 ' A' ' 26' ' ' LEU . 11.5 ptm180 179.43 172.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.2 t -124.53 130.87 73.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 3.6 m -119.6 157.28 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.89 145.36 42.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 8.8 mt -129.85 137.45 56.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.1 p -125.03 130.93 53.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.463 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . . . -172.13 152.0 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -47.46 151.34 1.41 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.711 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -74.99 -60.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.8 p -40.33 -34.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 4.6 mttt -61.17 155.76 19.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -82.16 -176.62 6.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.899 HD22 ' CD2' ' A' ' 60' ' ' LEU . 1.2 mt -80.37 -20.26 44.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.542 ' HB2' HD22 ' A' ' 55' ' ' LEU . 19.0 pt20 -89.12 -41.17 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 27.6 mt-10 -67.92 -28.79 67.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 34' ' ' ALA . . . -84.52 -28.09 26.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -91.61 -9.48 43.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.516 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -58.97 -50.86 85.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.0 -3.56 14.11 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.528 HG23 ' CE1' ' A' ' 51' ' ' HIS . 22.0 mm -100.79 -44.69 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 53' ' ' LEU . 13.7 mt -73.05 -55.04 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.25 -38.46 26.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' C ' ' N ' ' A' ' 52' ' ' GLY . 1.8 tttm -74.75 -74.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.528 ' CE1' HG23 ' A' ' 47' ' ' ILE . 69.7 m80 -41.39 -29.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.553 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 50' ' ' LYS . . . 99.79 28.54 7.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 83.0 mt -105.53 -171.92 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 0.784 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.4 m -139.24 171.77 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.542 HD22 ' HB2' ' A' ' 41' ' ' GLN . 16.8 mt -87.23 -19.72 27.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -109.32 30.83 6.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -130.25 -46.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 m -87.53 155.37 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.545 HG13 ' HB3' ' A' ' 68' ' ' PRO . 57.5 t -124.35 110.94 26.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.899 ' CD2' HD22 ' A' ' 40' ' ' LEU . 9.3 tp -97.47 136.27 38.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 68' ' ' PRO . 0.5 OUTLIER -177.49 134.25 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.626 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.464 ' HG3' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -62.09 158.09 47.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 76.45 3.39 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 164.09 -44.06 0.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -43.31 166.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 0.741 . . . . 0.0 110.273 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.65 -74.22 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.71 159.96 54.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.545 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.0 Cg_endo -75.02 145.41 31.33 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.549 1.815 . . . . 0.0 110.991 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.3 mtt -51.36 172.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.448 ' C ' ' N ' ' A' ' 72' ' ' GLU . 7.2 m-20 -122.87 18.85 10.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.444 HD13 HD22 ' A' ' 55' ' ' LEU . 2.0 mt 40.01 30.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 70' ' ' ASP . 6.0 mt-10 -103.48 -20.9 13.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -86.86 152.35 53.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.403 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.3 Cg_endo -74.96 136.68 20.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.813 ' HA ' HG22 ' A' ' 78' ' ' VAL . 5.2 m -48.28 -24.25 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 74' ' ' PRO . 80.4 p -50.56 -31.24 15.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 109.992 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.58 -37.22 43.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.931 ' HB ' HD11 ' A' ' 83' ' ' LEU . 24.3 m -96.63 48.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.83 ' HB2' HD13 ' A' ' 17' ' ' ILE . . . -132.08 64.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.74 -49.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 62' ' ' ARG . 50.6 mm-40 -104.0 -178.32 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.347 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.4 m -100.57 123.68 45.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.931 HD11 ' HB ' ' A' ' 78' ' ' VAL . 85.1 mt -82.99 169.98 15.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.525 ' CG1' ' CG2' ' A' ' 24' ' ' VAL . 38.3 t -126.57 132.51 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.695 HD13 HD11 ' A' ' 21' ' ' LEU . 5.5 tp -110.76 126.5 54.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -111.75 76.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 70.3 p -51.09 157.34 1.5 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.64 34.83 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 57.64 4.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.797 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 169.38 127.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -173.31 150.38 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -79.47 156.34 27.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.13 170.26 16.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 t -137.52 -56.06 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.043 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -157.66 120.99 4.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -172.71 165.45 5.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.54 -67.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.8 t 68.22 108.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.5 150.75 21.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 133.49 97.35 0.62 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 164.09 33.99 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.3 169.28 17.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.4 m 63.08 145.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.944 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -123.01 94.29 4.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.777 . . . . 0.0 110.023 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.2 t -68.26 107.44 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.42 -132.68 11.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 m 64.43 95.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 110.05 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.52 161.18 42.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.04 171.38 0.05 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -170.73 129.69 0.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 0.772 . . . . 0.0 109.291 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 58.17 161.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -130.34 111.52 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.2 t -135.47 -58.54 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.6 mmm-85 -77.48 140.48 39.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.339 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 13' ' ' LEU . 4.4 mm? -79.11 148.99 32.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.69 166.99 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -93.84 153.6 18.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -43.92 129.09 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.819 HD11 ' HB ' ' A' ' 75' ' ' VAL . 1.8 pp -101.64 151.02 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 32' ' ' ILE . 19.7 m -133.52 158.21 43.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 34.3 p90 -152.42 166.09 33.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.468 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 14.9 mt-30 -101.27 153.88 19.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.493 HD12 HD11 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -128.72 135.1 48.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -97.77 107.12 19.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.47 HD13 ' NE ' ' A' ' 28' ' ' ARG . 5.8 mt -73.81 72.58 1.55 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.494 ' CG2' HG13 ' A' ' 84' ' ' VAL . 66.0 t -42.52 122.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.07 13.74 24.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.626 HD22 ' CZ ' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -149.92 -169.52 3.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.0 109.358 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -133.18 77.68 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.239 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.626 ' CZ ' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -166.92 177.09 6.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 20' ' ' GLN . 93.7 t -144.65 91.78 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.2 m -71.18 150.35 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.468 ' CD ' ' HG3' ' A' ' 20' ' ' GLN . 13.4 tpp85 -114.07 150.33 34.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 18' ' ' THR . 10.5 mt -132.85 125.73 52.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.413 ' CA ' HG23 ' A' ' 18' ' ' THR . 0.2 OUTLIER -120.0 130.69 54.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.1 159.25 5.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.553 ' O ' HG21 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -52.83 153.14 6.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.359 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.697 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.92 -58.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.792 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' PRO . 2.4 p -38.18 -56.68 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 1.1 mttt -40.17 157.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -82.77 -175.96 6.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.705 HD21 HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -82.42 -27.55 31.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.543 ' HA ' HD22 ' A' ' 55' ' ' LEU . 18.4 pt20 -82.84 -40.85 19.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.454 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 6.6 mm-40 -70.81 -25.31 62.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.72 -25.08 24.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -95.98 -12.9 24.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.671 ' HG2' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -56.79 -49.38 94.11 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.5 Cg_endo -74.99 -3.69 14.3 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.45 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 20.1 mm -101.04 -49.82 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.809 ' CD1' HD23 ' A' ' 55' ' ' LEU . 40.3 mt -66.32 -41.45 89.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.04 -31.11 72.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.87 -10.84 49.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.45 ' ND1' ' O ' ' A' ' 47' ' ' ILE . 36.1 m80 -113.25 9.43 18.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.646 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.33 14.81 35.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' LEU . 68.0 mt -91.65 -174.96 4.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 0.786 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.495 ' C ' HD13 ' A' ' 48' ' ' LEU . 1.2 m -143.59 151.94 40.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.931 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.809 HD23 ' CD1' ' A' ' 48' ' ' LEU . 2.3 mt -68.38 -24.94 64.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -103.31 20.57 17.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.401 ' CG ' ' HB2' ' A' ' 54' ' ' SER . 41.6 mm-40 -116.33 -48.97 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.615 ' HB ' HD21 ' A' ' 85' ' ' LEU . 21.0 m -88.58 164.39 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.836 HG12 ' CD2' ' A' ' 61' ' ' HIS . 23.8 t -129.91 116.31 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD22 HD22 ' A' ' 40' ' ' LEU . 4.8 tp -97.26 141.01 30.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.836 ' CD2' HG12 ' A' ' 59' ' ' VAL . 6.2 p80 178.55 118.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.462 ' HG3' HD23 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -41.9 161.46 0.15 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.651 ' HB3' HG21 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.02 76.56 3.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.549 1.815 . . . . 0.0 110.996 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.31 51.24 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -116.1 178.01 4.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.295 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -99.5 -68.58 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -105.76 160.87 24.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.669 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -74.95 153.24 41.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.533 ' HE3' HD13 ' A' ' 40' ' ' LEU . 2.2 mmm -70.59 142.79 51.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.441 ' C ' ' N ' ' A' ' 72' ' ' GLU . 87.3 m-20 -91.21 20.01 5.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt 40.19 29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.441 ' N ' ' C ' ' A' ' 70' ' ' ASP . 0.8 OUTLIER -96.36 -38.85 9.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -67.48 153.88 94.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 76' ' ' SER . 18.4 Cg_endo -74.96 140.57 25.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.46 1.769 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.819 ' HB ' HD11 ' A' ' 17' ' ' ILE . 4.3 m -46.72 -26.18 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' PRO . 91.9 p -54.83 -19.07 5.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.29 -33.05 29.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.905 ' HB ' HD11 ' A' ' 83' ' ' LEU . 6.2 m -84.37 -5.92 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 80' ' ' SER . . . -52.05 122.13 7.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.3 OUTLIER 84.89 154.39 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 78.13 177.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.466 HG23 ' CB ' ' A' ' 20' ' ' GLN . 32.5 m -116.75 119.33 35.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.426 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.905 HD11 ' HB ' ' A' ' 78' ' ' VAL . 16.3 mt -76.25 173.97 10.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.651 HG21 ' HB3' ' A' ' 63' ' ' PRO . 67.0 t -134.4 126.32 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.615 HD21 ' HB ' ' A' ' 58' ' ' VAL . 2.2 tm? -108.36 139.71 42.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.455 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -127.55 81.35 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.52 HG23 HD12 ' A' ' 85' ' ' LEU . 12.6 p -51.61 157.77 1.74 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.04 19.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -38.07 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.77 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -121.12 113.38 19.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.369 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -122.51 133.85 54.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.74 125.55 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.675 ' HB3' ' HB2' ' A' ' 96' ' ' ALA . 3.6 tpt -168.09 137.91 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.2 t -48.97 -55.97 10.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.959 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.61 63.07 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.675 ' HB2' ' HB3' ' A' ' 93' ' ' MET . . . -85.73 165.45 16.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -163.25 100.86 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -178.7 150.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 m -59.03 136.06 57.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -153.57 97.56 0.17 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 160.45 40.02 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.508 1.794 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.8 p -132.17 124.84 29.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.0 t -178.81 -60.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.097 . . . . 0.0 111.001 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 m 64.18 -77.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 1' ' ' GLY . 36.9 t -161.93 -59.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.89 89.11 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -170.79 115.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.018 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -176.28 168.2 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.58 179.73 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 170.37 -54.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.508 ' O ' ' CB ' ' A' ' 10' ' ' GLU . 19.3 pt20 179.38 -175.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER 160.57 -26.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.3 t 64.44 -80.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -118.12 144.23 45.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.96 156.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -100.35 151.74 21.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -56.08 -178.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.86 128.43 1.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.608 HD11 ' HB ' ' A' ' 75' ' ' VAL . 1.8 pp -101.74 161.07 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 32' ' ' ILE . 14.7 m -140.17 158.42 44.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 45.1 p90 -154.56 161.58 41.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.45 ' OE1' ' NE ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -100.64 156.81 17.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.567 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.5 OUTLIER -134.12 141.59 47.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -99.27 109.49 22.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.412 HD13 ' HD3' ' A' ' 28' ' ' ARG . 4.0 mt -79.14 72.14 5.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.485 ' CG2' HG13 ' A' ' 84' ' ' VAL . 96.4 t -44.44 132.04 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.3 -46.57 2.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.05 -29.86 58.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 65.13 74.88 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.412 ' HD3' HD13 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -172.61 136.33 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.5 t -95.17 113.82 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.085 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 2.0 m -101.19 160.17 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.516 ' HD2' HG22 ' A' ' 18' ' ' THR . 15.5 tpp85 -122.31 142.57 50.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.638 ' O ' HG23 ' A' ' 18' ' ' THR . 11.2 mt -125.55 132.1 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.6 p -119.53 132.56 55.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.97 161.4 3.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -57.69 153.06 32.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.741 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.99 -58.35 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.783 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' PRO . 67.7 p -37.11 -53.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.404 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -43.91 165.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -90.07 -176.86 5.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.769 HD11 HG11 ' A' ' 78' ' ' VAL . 1.1 mt -82.61 -27.58 31.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.512 ' HB2' HD22 ' A' ' 55' ' ' LEU . 10.4 pt20 -86.72 -33.98 19.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 38' ' ' LYS . 14.2 mm-40 -73.54 -27.45 61.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.78 -22.52 25.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.58 -15.24 25.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.525 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -55.76 -50.51 86.7 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.4 Cg_endo -74.97 -2.93 13.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.527 HG23 ' CE1' ' A' ' 51' ' ' HIS . 17.6 mm -100.55 -49.78 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.519 HD21 HG21 ' A' ' 58' ' ' VAL . 24.0 mt -60.79 -56.85 16.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.47 -49.65 44.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -36.37 81.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.527 ' CE1' HG23 ' A' ' 47' ' ' ILE . 49.6 m80 -88.22 7.76 30.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.581 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . 60.09 23.14 59.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.8 mt -98.91 -167.93 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.511 ' C ' HD13 ' A' ' 48' ' ' LEU . 12.8 m -144.39 172.92 12.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 41' ' ' GLN . 19.1 mt -86.06 -27.32 24.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -100.11 30.94 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -129.24 -48.64 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.739 ' HB ' HD11 ' A' ' 85' ' ' LEU . 7.2 m -90.9 140.52 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.461 HG13 ' HB3' ' A' ' 68' ' ' PRO . 57.3 t -112.83 116.89 53.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 61' ' ' HIS . 1.5 tt -91.08 138.13 31.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.673 ' N ' HD23 ' A' ' 60' ' ' LEU . 23.7 p80 -174.92 114.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.591 ' HB3' HD23 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -65.46 159.15 69.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.609 ' HD3' HG23 ' A' ' 84' ' ' VAL . 18.3 Cg_endo -75.0 82.85 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.807 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.62 -25.6 0.33 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.483 ' HG2' ' CG ' ' A' ' 62' ' ' ARG . 11.3 mm-40 -89.6 -28.8 19.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 0.788 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt 68.14 -75.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.08 161.78 0.54 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.3 Cg_endo -75.0 118.16 5.17 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.3 mmm -57.04 169.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.86 107.5 18.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.422 ' C ' ' N ' ' A' ' 73' ' ' ASN . 2.0 mt -56.11 -37.17 69.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.402 ' CD ' ' OD1' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -41.36 -28.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.422 ' N ' ' C ' ' A' ' 71' ' ' LEU . 7.6 m-20 -71.35 147.44 92.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 139.68 24.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.421 1.748 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.753 ' HA ' HG22 ' A' ' 78' ' ' VAL . 14.8 m -54.35 -24.17 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -51.8 -24.92 6.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.019 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.75 -25.92 26.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.036 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.769 HG11 HD11 ' A' ' 40' ' ' LEU . 3.6 m -108.33 45.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.22 44.91 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -174.81 161.8 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.962 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 60.93 170.01 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 54.5 m -102.29 126.32 49.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.591 HD23 ' HB3' ' A' ' 62' ' ' ARG . 21.6 mt -85.13 176.14 8.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.609 HG23 ' HD3' ' A' ' 63' ' ' PRO . 58.1 t -133.38 124.52 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.739 HD11 ' HB ' ' A' ' 58' ' ' VAL . 1.6 tm? -104.61 143.26 33.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.731 ' N ' HD13 ' A' ' 85' ' ' LEU . 7.1 t0 -124.58 91.07 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.7 p -64.59 157.24 74.4 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 166.4 29.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.544 1.813 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 160.41 40.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.9 t0 53.87 90.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -161.24 93.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.72 -66.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.0 tmm? 41.04 83.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.9 p 47.62 80.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -179.85 172.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.239 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.13 149.27 30.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.63 141.28 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.5 p 178.0 88.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.56 104.82 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -176.9 154.7 16.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.35 41.98 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.515 1.797 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.54 148.92 18.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.2 167.79 10.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.027 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.159 . . . . 0.0 110.977 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -176.81 167.73 2.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 110.019 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -179.9 167.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.939 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.87 -107.1 0.24 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.57 146.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.764 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -170.96 157.38 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.14 125.94 2.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -177.51 134.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -126.23 176.54 7.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.23 155.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.2 m -128.91 168.3 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.15 113.02 1.92 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.87 59.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -145.93 163.71 34.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -95.81 67.42 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.89 129.62 3.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.617 HD12 ' C ' ' A' ' 17' ' ' ILE . 1.9 pp -105.89 154.33 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.424 HG23 ' HB3' ' A' ' 33' ' ' SER . 2.6 m -128.1 152.59 47.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' A' ' 32' ' ' ILE . 48.8 p90 -151.33 161.88 41.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 15.4 mt-30 -101.2 157.78 16.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 85' ' ' LEU . 0.4 OUTLIER -132.52 142.26 49.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 83' ' ' LEU . 2.1 tt0 -100.01 112.53 24.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -84.26 70.72 10.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.228 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.56 ' CG2' HG13 ' A' ' 84' ' ' VAL . 84.8 t -45.58 -59.44 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -37.54 -39.38 0.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.545 ' O ' ' CB ' ' A' ' 27' ' ' GLU . 1.2 tp -97.44 -96.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.545 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER 157.18 44.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.539 ' HD3' HD23 ' A' ' 26' ' ' LEU . 4.2 ptm180 -151.16 148.28 28.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.342 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.0 t -94.31 138.91 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 20' ' ' GLN . 0.4 OUTLIER -121.98 164.15 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -118.83 142.19 47.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.587 ' HB ' ' CE1' ' A' ' 19' ' ' PHE . 6.3 mt -129.08 136.61 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.424 ' HB3' HG23 ' A' ' 18' ' ' THR . 71.7 p -123.51 134.76 53.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.74 160.43 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.503 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -55.36 151.52 19.19 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.738 ' HA ' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -74.97 -57.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' PRO . 38.5 p -38.14 -52.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HB2' ' CG ' ' A' ' 35' ' ' LYS . 0.4 OUTLIER -43.17 164.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -89.4 -178.47 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.05 -24.45 32.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.469 ' HB2' HD22 ' A' ' 55' ' ' LEU . 14.8 pt20 -87.12 -36.08 18.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -77.61 -24.86 49.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.03 -27.42 26.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.47 -15.86 25.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.544 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -52.08 -49.37 84.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 45' ' ' GLN . 18.2 Cg_endo -75.05 -3.28 13.7 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.536 HG23 ' CE1' ' A' ' 51' ' ' HIS . 15.0 mm -100.72 -46.54 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 53' ' ' LEU . 7.9 mt -67.35 -34.64 77.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.53 -22.47 61.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.33 -8.48 32.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.536 ' CE1' HG23 ' A' ' 47' ' ' ILE . 47.4 m80 -116.95 9.45 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.613 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.54 18.35 51.06 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' LEU . 48.8 mt -95.2 -167.42 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.34 178.98 8.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' A' ' 41' ' ' GLN . 12.5 mt -91.69 -31.45 15.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.22 36.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -135.12 -48.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.84 ' HB ' HD21 ' A' ' 85' ' ' LEU . 17.4 m -92.53 167.45 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 68' ' ' PRO . 51.1 t -131.7 116.83 32.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -92.69 138.65 31.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -173.49 142.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.078 . . . . 0.0 109.585 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -70.93 160.18 83.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 95.54 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.552 1.817 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.69 54.51 0.47 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -117.32 178.43 4.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 110.299 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.08 -16.94 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -156.5 167.8 13.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.299 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.424 ' HB3' HG13 ' A' ' 59' ' ' VAL . 18.2 Cg_endo -74.98 128.33 11.41 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 61.0 mtp -59.59 166.28 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -104.19 117.81 35.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.254 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.4 ' C ' ' N ' ' A' ' 73' ' ' ASN . 1.8 mt -55.63 -29.89 60.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -44.55 -26.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.4 ' N ' ' C ' ' A' ' 71' ' ' LEU . 11.3 m-20 -74.9 148.39 84.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 144.84 30.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.738 HG23 ' HA ' ' A' ' 36' ' ' PRO . 13.3 m -56.61 -21.79 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.32 -20.49 43.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.68 -9.67 53.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.498 ' CG2' ' HA ' ' A' ' 75' ' ' VAL . 3.6 m -127.42 46.06 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.152 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.7 133.95 36.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.66 -61.57 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -45.35 153.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.0 m -94.17 147.0 23.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' GLU . 16.6 mt -118.65 159.16 24.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.56 HG13 ' CG2' ' A' ' 24' ' ' VAL . 81.0 t -118.46 118.7 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.84 HD21 ' HB ' ' A' ' 58' ' ' VAL . 3.4 tm? -101.69 137.11 40.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.568 ' N ' HD13 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -124.32 94.84 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.4 HG23 ' CD1' ' A' ' 85' ' ' LEU . 25.5 p -62.94 157.62 59.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.31 42.87 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 55.95 4.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.4 t0 175.93 -59.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 60.3 105.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt 67.16 132.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.8 ttt -73.94 118.29 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.54 159.84 3.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.12 81.13 3.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -142.07 171.91 13.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.5 103.14 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.17 144.03 40.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.09 -58.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.071 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 74.25 97.05 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 160.82 39.6 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.18 -58.15 1.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.66 169.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.976 . . . . . . . . 0 0 . 1 stop_ save_